2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene

C26H32 — CID 87475663

IUPAC2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
SMILESCCCc1ccc(-c2cccc3c2C=C(CC2CCCCCC2)C3)cc1
InChIInChI=1S/C26H32/c1-2-8-20-13-15-23(16-14-20)25-12-7-11-24-18-22(19-26(24)25)17-21-9-5-3-4-6-10-21/h7,11-16,19,21H,2-6,8-10,17-18H2,1H3
InChIKeyUADVVQQRUKEAAN-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.61
Rot. Bonds5

About 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene

2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene (PubChem CID 87475663) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
PubChem CID87475663
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
SMILESCCCc1ccc(-c2cccc3c2C=C(CC2CCCCCC2)C3)cc1
InChIInChI=1S/C26H32/c1-2-8-20-13-15-23(16-14-20)25-12-7-11-24-18-22(19-26(24)25)17-21-9-5-3-4-6-10-21/h7,11-16,19,21H,2-6,8-10,17-18H2,1H3
InChIKeyUADVVQQRUKEAAN-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.61
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
4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
CID 87472369
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295
2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-indene
CID 87675897

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene?
The IUPAC name of 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene (CID 87475663) is 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene.
What is the SMILES notation for 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene?
The canonical SMILES for 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene is CCCc1ccc(-c2cccc3c2C=C(CC2CCCCCC2)C3)cc1.
What is the InChIKey of 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene?
The InChIKey is UADVVQQRUKEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-2-8-20-13-15-23(16-14-20)25-12-7-11-24-18-22(19-26(24)25)17-21-9-5-3-4-6-10-21/h7,11-16,19,21H,2-6,8-10,17-18H2,1H3.
What are the key properties of 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene?
2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene has a molecular weight of 344.54 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene is sourced from PubChem (CID 87475663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).