4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene

C27H32 — CID 87472369

IUPAC4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
SMILESC1=C(CC2CCCC2)Cc2cccc(-c3ccc(C4CCCCC4)cc3)c21
InChIInChI=1S/C27H32/c1-2-9-22(10-3-1)23-13-15-24(16-14-23)26-12-6-11-25-18-21(19-27(25)26)17-20-7-4-5-8-20/h6,11-16,19-20,22H,1-5,7-10,17-18H2
InChIKeyRZBOCNFEGRTNIC-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.92
Rot. Bonds4

About 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene

4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene (PubChem CID 87472369) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
PubChem CID87472369
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
SMILESC1=C(CC2CCCC2)Cc2cccc(-c3ccc(C4CCCCC4)cc3)c21
InChIInChI=1S/C27H32/c1-2-9-22(10-3-1)23-13-15-24(16-14-23)26-12-6-11-25-18-21(19-27(25)26)17-20-7-4-5-8-20/h6,11-16,19-20,22H,1-5,7-10,17-18H2
InChIKeyRZBOCNFEGRTNIC-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(cyclohexylmethyl)-4-(4-ethylphenyl)-1H-indene
CID 87473753
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795
2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
CID 87475663
2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-indene
CID 87675897
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
[2-(4-cyclohexylphenyl)phenyl]methanamine
CID 63423765
2-cyclopentyl-4-phenyl-1H-indene
CID 23105549
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
dimethyl-[2-(4-phenyl-1H-inden-2-yl)ethylidene]silane
CID 150701216
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067
1-(cyclohexylmethyl)acenaphthylene
CID 173091687

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene?
The IUPAC name of 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene (CID 87472369) is 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene?
The canonical SMILES for 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene is C1=C(CC2CCCC2)Cc2cccc(-c3ccc(C4CCCCC4)cc3)c21.
What is the InChIKey of 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene?
The InChIKey is RZBOCNFEGRTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-2-9-22(10-3-1)23-13-15-24(16-14-23)26-12-6-11-25-18-21(19-27(25)26)17-20-7-4-5-8-20/h6,11-16,19-20,22H,1-5,7-10,17-18H2.
What are the key properties of 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene?
4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene has a molecular weight of 356.55 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene is sourced from PubChem (CID 87472369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).