1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene

C32H46 — CID 142147061

IUPAC1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
SMILESCC1CCC(Cc2ccc(CCc3ccc(C(C)(C)C4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C32H46/c1-24-5-9-28(10-6-24)23-29-15-13-26(14-16-29)11-12-27-17-21-31(22-18-27)32(3,4)30-19-7-25(2)8-20-30/h13-18,21-22,24-25,28,30H,5-12,19-20,23H2,1-4H3
InChIKeyFASMUPBLBASFJG-UHFFFAOYSA-N
MW430.72 g/mol
LogP8.94
Rot. Bonds7

About 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene

1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene (PubChem CID 142147061) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
PubChem CID142147061
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
SMILESCC1CCC(Cc2ccc(CCc3ccc(C(C)(C)C4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C32H46/c1-24-5-9-28(10-6-24)23-29-15-13-26(14-16-29)11-12-27-17-21-31(22-18-27)32(3,4)30-19-7-25(2)8-20-30/h13-18,21-22,24-25,28,30H,5-12,19-20,23H2,1-4H3
InChIKeyFASMUPBLBASFJG-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
The IUPAC name of 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene (CID 142147061) is 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
The canonical SMILES for 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene is CC1CCC(Cc2ccc(CCc3ccc(C(C)(C)C4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
The InChIKey is FASMUPBLBASFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46/c1-24-5-9-28(10-6-24)23-29-15-13-26(14-16-29)11-12-27-17-21-31(22-18-27)32(3,4)30-19-7-25(2)8-20-30/h13-18,21-22,24-25,28,30H,5-12,19-20,23H2,1-4H3.
What are the key properties of 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene has a molecular weight of 430.72 g/mol, XLogP of 8.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene is sourced from PubChem (CID 142147061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).