1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone

C100H92O17S — CID 157294692

IUPAC1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(OCCOc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.CC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H18O4.C16H14O3.C16H14O2S.C16H14O2.C14H12O2.2C10H10O2/c1-13(19)15-3-7-17(8-4-15)21-11-12-22-18-9-5-16(6-10-18)14(2)20;2*1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18;1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;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/h3-10H,11-12H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3
InChIKeyBBFCXYIFTFSIOS-UHFFFAOYSA-N
MW1597.89 g/mol
LogP22.86
Rot. Bonds24

About 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone

1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone (PubChem CID 157294692) has the molecular formula C100H92O17S and a molecular weight of 1597.89 g/mol. Its IUPAC name is 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
PubChem CID157294692
Molecular FormulaC100H92O17S
Molecular Weight1597.89 g/mol
Exact Mass1596.61
IUPAC Name1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(OCCOc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.CC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H18O4.C16H14O3.C16H14O2S.C16H14O2.C14H12O2.2C10H10O2/c1-13(19)15-3-7-17(8-4-15)21-11-12-22-18-9-5-16(6-10-18)14(2)20;2*1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18;1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;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/h3-10H,11-12H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3
InChIKeyBBFCXYIFTFSIOS-UHFFFAOYSA-N
XLogP22.86
TPSA266.67 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.89
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone with MolForge

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Related Compounds

6-Methoxy-3-thiahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4(9),5,7,12,14,16(24),17,19,21-undecaen-10-one
CID 12174415
[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
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-(4-methylphenyl)sulfanylphenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 60119343
4-Fluoro-4-[4-[4-[3-[4-[4-(4-fluorobenzoyl)benzoyl]phenoxy]phenyl]sulfanylbenzoyl]phenyl]cyclohexa-1,5-diene-1-carbaldehyde
CID 87824138
2-[4-[7-[4-(2-Fluoroprop-2-enoyloxy)butoxy]phenanthrene-2-carbonyl]sulfanylphenoxy]ethyl 2-methylprop-2-enoate
CID 155241608
2-[6-[4-[4-[6-(2-Fluoroprop-2-enoyloxy)hexoxy]phenyl]phenyl]sulfanylcarbonylnaphthalen-2-yl]oxyethyl 2-methylprop-2-enoate
CID 155241845
4-O-cyclohexyl 1-O-[2-fluoro-4-[6-[4-(2-fluoroprop-2-enoylsulfanyl)phenyl]naphthalen-2-yl]sulfanylcarbonylphenyl] 2-methylidenebutanedioate
CID 155241996
Bis(4-methylphenyl)methanone;1,5-dimethylnaphthalene;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;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,4-xylene
CID 157621134
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
Bis(4-methylphenyl)methanone;1,5-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,4-xylene
CID 160249033
Anthracene;benzene;ethane;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-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene
CID 160633906
1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate
CID 160985127

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone (CID 157294692) is 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(OCCOc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.CC(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
The InChIKey is BBFCXYIFTFSIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4.C16H14O3.C16H14O2S.C16H14O2.C14H12O2.2C10H10O2/c1-13(19)15-3-7-17(8-4-15)21-11-12-22-18-9-5-16(6-10-18)14(2)20;2*1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18;1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;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/h3-10H,11-12H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone has a molecular weight of 1597.89 g/mol, XLogP of 22.86, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 157294692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).