1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene

C30H42 — CID 59265507

IUPAC1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
SMILESCCC1CCC(Cc2ccc(Cc3ccc(CC4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25/h12-19,23-26H,3-11,20-22H2,1-2H3
InChIKeyWCLLPJNUJTXOSN-UHFFFAOYSA-N
MW402.67 g/mol
LogP8.41
Rot. Bonds7

About 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene

1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene (PubChem CID 59265507) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
PubChem CID59265507
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
SMILESCCC1CCC(Cc2ccc(Cc3ccc(CC4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25/h12-19,23-26H,3-11,20-22H2,1-2H3
InChIKeyWCLLPJNUJTXOSN-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene (CID 59265507) is 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene is CCC1CCC(Cc2ccc(Cc3ccc(CC4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene?
The InChIKey is WCLLPJNUJTXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25/h12-19,23-26H,3-11,20-22H2,1-2H3.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene?
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene has a molecular weight of 402.67 g/mol, XLogP of 8.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene is sourced from PubChem (CID 59265507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).