1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene

C43H58 — CID 161276937

IUPAC1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
SMILESCC(CC(c1ccccc1C1CCCCC1C)c1ccccc1C1CCCCC1C)c1ccccc1C1CCCCC1C
InChIInChI=1S/C43H58/c1-30-17-5-8-20-34(30)38-24-12-11-23-37(38)33(4)29-43(41-27-15-13-25-39(41)35-21-9-6-18-31(35)2)42-28-16-14-26-40(42)36-22-10-7-19-32(36)3/h11-16,23-28,30-36,43H,5-10,17-22,29H2,1-4H3
InChIKeyVEOFUOYNUCYOBD-UHFFFAOYSA-N
MW574.94 g/mol
LogP12.89
Rot. Bonds8

About 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene

1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene (PubChem CID 161276937) has the molecular formula C43H58 and a molecular weight of 574.94 g/mol. Its IUPAC name is 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
PubChem CID161276937
Molecular FormulaC43H58
Molecular Weight574.94 g/mol
Exact Mass574.45
IUPAC Name1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
SMILESCC(CC(c1ccccc1C1CCCCC1C)c1ccccc1C1CCCCC1C)c1ccccc1C1CCCCC1C
InChIInChI=1S/C43H58/c1-30-17-5-8-20-34(30)38-24-12-11-23-37(38)33(4)29-43(41-27-15-13-25-39(41)35-21-9-6-18-31(35)2)42-28-16-14-26-40(42)36-22-10-7-19-32(36)3/h11-16,23-28,30-36,43H,5-10,17-22,29H2,1-4H3
InChIKeyVEOFUOYNUCYOBD-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.94
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
(2-methylcyclopentyl)benzene
CID 12600454
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol
CID 117336931
1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
CID 163527973
1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
CID 143070757
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890
3-(2-piperidin-4-ylphenyl)butan-1-amine
CID 117336959
(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol
CID 54340891
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone
CID 54374434

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene?
The IUPAC name of 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene (CID 161276937) is 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene?
The canonical SMILES for 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene is CC(CC(c1ccccc1C1CCCCC1C)c1ccccc1C1CCCCC1C)c1ccccc1C1CCCCC1C.
What is the InChIKey of 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene?
The InChIKey is VEOFUOYNUCYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58/c1-30-17-5-8-20-34(30)38-24-12-11-23-37(38)33(4)29-43(41-27-15-13-25-39(41)35-21-9-6-18-31(35)2)42-28-16-14-26-40(42)36-22-10-7-19-32(36)3/h11-16,23-28,30-36,43H,5-10,17-22,29H2,1-4H3.
What are the key properties of 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene?
1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene has a molecular weight of 574.94 g/mol, XLogP of 12.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene is sourced from PubChem (CID 161276937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).