7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene

C32H36 — CID 58046183

IUPAC7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene
SMILESCCCc1ccc(C2=CC=C(Cc3ccc(C4CCCCC4)c(C)c3)C3=CC=CC32)cc1
InChIInChI=1S/C32H36/c1-3-8-24-13-16-27(17-14-24)31-20-18-28(30-11-7-12-32(30)31)22-25-15-19-29(23(2)21-25)26-9-5-4-6-10-26/h7,11-21,26,32H,3-6,8-10,22H2,1-2H3
InChIKeyBRTXWJLSSVBMSI-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.67
Rot. Bonds6

About 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene

7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene (PubChem CID 58046183) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene.

Molecular Properties

Compound Name7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene
PubChem CID58046183
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene
SMILESCCCc1ccc(C2=CC=C(Cc3ccc(C4CCCCC4)c(C)c3)C3=CC=CC32)cc1
InChIInChI=1S/C32H36/c1-3-8-24-13-16-27(17-14-24)31-20-18-28(30-11-7-12-32(30)31)22-25-15-19-29(23(2)21-25)26-9-5-4-6-10-26/h7,11-21,26,32H,3-6,8-10,22H2,1-2H3
InChIKeyBRTXWJLSSVBMSI-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene with MolForge

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Related Compounds

4-(4-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046266
4-cyclohexa-1,5-dien-1-yl-7-[[4-[4-(4-methylphenyl)butyl]phenyl]methyl]-3aH-indene
CID 58046256
4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene
CID 58046196
2-cyclohexyl-1-ethyl-4-propylbenzene
CID 154394509
4-cyclohexa-1,5-dien-1-yl-7-[[4-(4-propylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046186
2-cyclopentyl-4-propylphenol
CID 70792894
(4-cyclopropyl-3-methylphenyl)methanamine
CID 66479429
4-[2-[4-(4-cyclohexyl-5,6-difluorocyclohexa-1,3-dien-1-yl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 143909059
(2-methyl-4-propylphenyl)methylcycloheptane
CID 123992425
2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene
CID 59931400
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
CID 141212079

Frequently Asked Questions

What is the IUPAC name of 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene?
The IUPAC name of 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene (CID 58046183) is 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene.
What is the SMILES notation for 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene?
The canonical SMILES for 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene is CCCc1ccc(C2=CC=C(Cc3ccc(C4CCCCC4)c(C)c3)C3=CC=CC32)cc1.
What is the InChIKey of 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene?
The InChIKey is BRTXWJLSSVBMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36/c1-3-8-24-13-16-27(17-14-24)31-20-18-28(30-11-7-12-32(30)31)22-25-15-19-29(23(2)21-25)26-9-5-4-6-10-26/h7,11-21,26,32H,3-6,8-10,22H2,1-2H3.
What are the key properties of 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene?
7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene has a molecular weight of 420.64 g/mol, XLogP of 8.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene is sourced from PubChem (CID 58046183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).