1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene

C256H262F6O13S3 — CID 158276615

IUPAC1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
SMILESCC(=O)c1ccc(C(C)=O)c2ccccc12.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1cccc(C(C)=O)c1.CC(=O)c1cccc2c(C(C)=O)cccc12.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/C20H24.C17H14F6.C17H20.C16H18.C15H14O.C15H16.C14H14O2S.2C14H12O2.C14H14OS.C14H14O.C14H14S.3C12H12.2C10H10O2.2C8H10/c1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-9(15)11-5-3-8-14-12(10(2)16)6-4-7-13(11)14;1-9(15)11-7-8-12(10(2)16)14-6-4-3-5-13(11)14;1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h6-13H,3-5,14-15H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;4-11,14H,1-3H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3*3-8H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyGJRKZBSZJYJXJE-UHFFFAOYSA-N
MW3757.09 g/mol
LogP68.59
Rot. Bonds28

About 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene

1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene (PubChem CID 158276615) has the molecular formula C256H262F6O13S3 and a molecular weight of 3757.09 g/mol. Its IUPAC name is 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
PubChem CID158276615
Molecular FormulaC256H262F6O13S3
Molecular Weight3757.09 g/mol
Exact Mass3753.89
IUPAC Name1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
SMILESCC(=O)c1ccc(C(C)=O)c2ccccc12.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1cccc(C(C)=O)c1.CC(=O)c1cccc2c(C(C)=O)cccc12.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/C20H24.C17H14F6.C17H20.C16H18.C15H14O.C15H16.C14H14O2S.2C14H12O2.C14H14OS.C14H14O.C14H14S.3C12H12.2C10H10O2.2C8H10/c1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-9(15)11-5-3-8-14-12(10(2)16)6-4-7-13(11)14;1-9(15)11-7-8-12(10(2)16)14-6-4-3-5-13(11)14;1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h6-13H,3-5,14-15H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;4-11,14H,1-3H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3*3-8H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyGJRKZBSZJYJXJE-UHFFFAOYSA-N
XLogP68.59
TPSA214.07 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003757.09
LogP ≤ 568.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

5,5-Difluoro-5-(phenylsulfonyl)pentyl 6-(3-((3r,5r,7r)-adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate
CID 163297716
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)phenyl]sulfonylphenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58658211
[4-(4-Methylphenyl)phenyl]-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]methanone
CID 58690157
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-(4-sulfanylbenzoyl)phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58693255
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[4-(oxan-2-ylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58693258
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid
CID 58693264
CID 58693268
CID 58693268
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]butyl]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58769498
6-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenoxy]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 58769499
[4-[3-[4-[4-(Tert-butyl-dihydroxy-oxo-lambda6-sulfanyl)phenoxy]-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769604

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene (CID 158276615) is 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene is CC(=O)c1ccc(C(C)=O)c2ccccc12.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1cccc(C(C)=O)c1.CC(=O)c1cccc2c(C(C)=O)cccc12.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.
What is the InChIKey of 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
The InChIKey is GJRKZBSZJYJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24.C17H14F6.C17H20.C16H18.C15H14O.C15H16.C14H14O2S.2C14H12O2.C14H14OS.C14H14O.C14H14S.3C12H12.2C10H10O2.2C8H10/c1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-9(15)11-5-3-8-14-12(10(2)16)6-4-7-13(11)14;1-9(15)11-7-8-12(10(2)16)14-6-4-3-5-13(11)14;1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h6-13H,3-5,14-15H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;4-11,14H,1-3H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3*3-8H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 3757.09 g/mol, XLogP of 68.59, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158276615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).