1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol

C187H222ClF5N2O8 — CID 158164785

IUPAC1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol
SMILESCC.CC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)C1=CCCC(Oc2ccc(F)cc2)=C1.CC(C)(C)c1cc(CN)c2ccccc2c1.CC(C)(C)c1cc(F)c2ccccc2c1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Oc2ccccc2)c1.COc1ccc(C(C)(C)C)c(OC)c1.COc1ccc2cc(C(C)(C)C)ccc2c1.Cc1cc(CO)c2ccccc2c1
InChIInChI=1S/C16H19FO.2C16H18O.2C16H18.C15H19N.C15H17N.C15H18O.C14H15F.C12H13F3O.C12H18O2.C12H12O.C10H13Cl.C2H6/c1-16(2,3)12-5-4-6-15(11-12)18-14-9-7-13(17)8-10-14;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)13-8-11-6-4-5-7-14(11)12(9-13)10-16;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)11-8-10-6-4-5-7-12(10)13(15)9-11;1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;1-9-6-10-4-2-3-5-12(10)11(7-9)8-13;1-10(2,3)8-5-4-6-9(11)7-8;1-2/h5,7-11H,4,6H2,1-3H3;2*4-12H,1-3H3;2*4-12H,1-3H3;4-9H,10,16H2,1-3H3;4-11H,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;6-8H,1-5H3;2-7,13H,8H2,1H3;4-7H,1-3H3;1-2H3
InChIKeyFWSAHRWFDXMHRR-UHFFFAOYSA-N
MW2756.28 g/mol
LogP54.01
Rot. Bonds15

About 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol

1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol (PubChem CID 158164785) has the molecular formula C187H222ClF5N2O8 and a molecular weight of 2756.28 g/mol. Its IUPAC name is 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol
PubChem CID158164785
Molecular FormulaC187H222ClF5N2O8
Molecular Weight2756.28 g/mol
Exact Mass2753.66
IUPAC Name1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol
SMILESCC.CC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)C1=CCCC(Oc2ccc(F)cc2)=C1.CC(C)(C)c1cc(CN)c2ccccc2c1.CC(C)(C)c1cc(F)c2ccccc2c1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Oc2ccccc2)c1.COc1ccc(C(C)(C)C)c(OC)c1.COc1ccc2cc(C(C)(C)C)ccc2c1.Cc1cc(CO)c2ccccc2c1
InChIInChI=1S/C16H19FO.2C16H18O.2C16H18.C15H19N.C15H17N.C15H18O.C14H15F.C12H13F3O.C12H18O2.C12H12O.C10H13Cl.C2H6/c1-16(2,3)12-5-4-6-15(11-12)18-14-9-7-13(17)8-10-14;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)13-8-11-6-4-5-7-14(11)12(9-13)10-16;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)11-8-10-6-4-5-7-12(10)13(15)9-11;1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;1-9-6-10-4-2-3-5-12(10)11(7-9)8-13;1-10(2,3)8-5-4-6-9(11)7-8;1-2/h5,7-11H,4,6H2,1-3H3;2*4-12H,1-3H3;2*4-12H,1-3H3;4-9H,10,16H2,1-3H3;4-11H,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;6-8H,1-5H3;2-7,13H,8H2,1H3;4-7H,1-3H3;1-2H3
InChIKeyFWSAHRWFDXMHRR-UHFFFAOYSA-N
XLogP54.01
TPSA131.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002756.28
LogP ≤ 554.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol with MolForge

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Related Compounds

2,5-Dichloro-4-(dihydroxymethyl)-3-[6-fluoro-9-hydroxy-8-(2-methylphenyl)-5-oxo-10-pyridin-3-ylbenzo[a]xanthen-12-yl]benzoic acid
CID 20648413
2,5-Dichloro-3-[[6-fluoro-5-hydroxy-8-(2-methylphenyl)-9-oxo-10-pyridin-3-ylbenzo[a]xanthen-12-yl]methyl]terephthalic acid
CID 136115721
4-[(E)-but-2-en-2-yl]pyridine;2-chloro-4-fluoro-1-[(E)-prop-1-enyl]benzene;1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene;2-fluoro-1-[(E)-prop-1-enyl]-4-(trifluoromethyl)benzene;1-methoxy-2-[(E)-prop-1-enyl]benzene;3-[(E)-prop-1-enyl]benzoic acid;2-[(E)-prop-1-enyl]pyridine;3-[(E)-prop-1-enyl]pyridine;1-[(E)-prop-1-enyl]-3-(trifluoromethoxy)benzene;1-[(E)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 157607269
1-Chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
CID 158017380
1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;1-tert-butyl-3-(4-fluorophenoxy)benzene;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-N-methylnaphthalene-1-carboxamide;1-tert-butyl-4-(4-methylphenyl)benzene;3-tert-butylnaphthalene-1-carbonitrile;3-tert-butylnaphthalene-1-carboxamide;(3-tert-butylnaphthalen-1-yl)methanamine;(3-tert-butylnaphthalen-1-yl)methanol;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 158676765
1-Chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
CID 160419598
1-Tert-butyl-3-chlorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;1-tert-butyl-3-(4-fluorophenoxy)benzene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;(3-tert-butylnaphthalen-1-yl)methanol;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 161279483
1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine
CID 165084095
N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propan-2-ylamino]ethyl]-3-hydroxy-1-(pyridin-3-ylmethoxy)naphthalene-2-carboxamide
CID 19018789
2,5-Dichloro-3-(3-hydroxy-2,7-dinaphthalen-2-yl-6-oxo-4,5-dipyridin-2-ylxanthen-9-yl)terephthalic acid
CID 135433367
2,5-Dichloro-4-(dihydroxymethyl)-3-(3-hydroxy-2,7-dinaphthalen-2-yl-6-oxo-4,5-dipyridin-2-ylxanthen-9-yl)benzoic acid
CID 135829724
5-Chloro-3-(3-hydroxy-2,7-dinaphthalen-2-yl-6-oxo-4,5-dipyridin-2-ylxanthen-9-yl)-2-methylterephthalic acid
CID 142079921

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol?
The IUPAC name of 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol (CID 158164785) is 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol.
What is the SMILES notation for 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol?
The canonical SMILES for 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol is CC.CC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)C1=CCCC(Oc2ccc(F)cc2)=C1.CC(C)(C)c1cc(CN)c2ccccc2c1.CC(C)(C)c1cc(F)c2ccccc2c1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Oc2ccccc2)c1.COc1ccc(C(C)(C)C)c(OC)c1.COc1ccc2cc(C(C)(C)C)ccc2c1.Cc1cc(CO)c2ccccc2c1.
What is the InChIKey of 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol?
The InChIKey is FWSAHRWFDXMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO.2C16H18O.2C16H18.C15H19N.C15H17N.C15H18O.C14H15F.C12H13F3O.C12H18O2.C12H12O.C10H13Cl.C2H6/c1-16(2,3)12-5-4-6-15(11-12)18-14-9-7-13(17)8-10-14;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)13-8-11-6-4-5-7-14(11)12(9-13)10-16;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)11-8-10-6-4-5-7-12(10)13(15)9-11;1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15;1-12(2,3)10-7-6-9(13-4)8-11(10)14-5;1-9-6-10-4-2-3-5-12(10)11(7-9)8-13;1-10(2,3)8-5-4-6-9(11)7-8;1-2/h5,7-11H,4,6H2,1-3H3;2*4-12H,1-3H3;2*4-12H,1-3H3;4-9H,10,16H2,1-3H3;4-11H,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;6-8H,1-5H3;2-7,13H,8H2,1H3;4-7H,1-3H3;1-2H3.
What are the key properties of 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol?
1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol has a molecular weight of 2756.28 g/mol, XLogP of 54.01, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chlorobenzene;1-(3-tert-butylcyclohexa-1,3-dien-1-yl)oxy-4-fluorobenzene;1-tert-butyl-2,4-dimethoxybenzene;3-tert-butyl-1-fluoronaphthalene;2-tert-butyl-6-methoxynaphthalene;(3-tert-butylnaphthalen-1-yl)methanamine;1-tert-butyl-3-phenoxybenzene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;5-tert-butyl-2-phenylpyridine;2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;ethane;(3-methylnaphthalen-1-yl)methanol is sourced from PubChem (CID 158164785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).