1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene

C34H36 — CID 169434588

IUPAC1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
SMILESCc1ccc(C(c2ccccc2)C2CCC(C(c3ccccc3)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C34H36/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-20,31-34H,21-24H2,1-2H3
InChIKeyPMEVLJZOIOJMIH-UHFFFAOYSA-N
MW444.66 g/mol
LogP9.07
Rot. Bonds6

About 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene

1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene (PubChem CID 169434588) has the molecular formula C34H36 and a molecular weight of 444.66 g/mol. Its IUPAC name is 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
PubChem CID169434588
Molecular FormulaC34H36
Molecular Weight444.66 g/mol
Exact Mass444.28
IUPAC Name1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
SMILESCc1ccc(C(c2ccccc2)C2CCC(C(c3ccccc3)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C34H36/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-20,31-34H,21-24H2,1-2H3
InChIKeyPMEVLJZOIOJMIH-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene
CID 162009287
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
CID 70076896
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene?
The IUPAC name of 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene (CID 169434588) is 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene.
What is the SMILES notation for 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene?
The canonical SMILES for 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene is Cc1ccc(C(c2ccccc2)C2CCC(C(c3ccccc3)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene?
The InChIKey is PMEVLJZOIOJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-20,31-34H,21-24H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene?
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene has a molecular weight of 444.66 g/mol, XLogP of 9.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene is sourced from PubChem (CID 169434588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).