4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene

C27H34 — CID 87474795

IUPAC4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
SMILESCC(C)(C)c1ccc(-c2cccc3c2C=C(CC2CCCCCC2)C3)cc1
InChIInChI=1S/C27H34/c1-27(2,3)24-15-13-22(14-16-24)25-12-8-11-23-18-21(19-26(23)25)17-20-9-6-4-5-7-10-20/h8,11-16,19-20H,4-7,9-10,17-18H2,1-3H3
InChIKeyUPFZYPKCXMBNDO-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.95
Rot. Bonds3

About 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene

4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene (PubChem CID 87474795) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
PubChem CID87474795
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
SMILESCC(C)(C)c1ccc(-c2cccc3c2C=C(CC2CCCCCC2)C3)cc1
InChIInChI=1S/C27H34/c1-27(2,3)24-15-13-22(14-16-24)25-12-8-11-23-18-21(19-26(23)25)17-20-9-6-4-5-7-10-20/h8,11-16,19-20H,4-7,9-10,17-18H2,1-3H3
InChIKeyUPFZYPKCXMBNDO-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.95
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-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
CID 87472369
2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
CID 87475663
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
CID 87188383
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
CID 87323249
CID 87323249
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-indene
CID 87675897

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene (CID 87474795) is 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene is CC(C)(C)c1ccc(-c2cccc3c2C=C(CC2CCCCCC2)C3)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene?
The InChIKey is UPFZYPKCXMBNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34/c1-27(2,3)24-15-13-22(14-16-24)25-12-8-11-23-18-21(19-26(23)25)17-20-9-6-4-5-7-10-20/h8,11-16,19-20H,4-7,9-10,17-18H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene?
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene has a molecular weight of 358.57 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene is sourced from PubChem (CID 87474795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).