2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene

C26H32 — CID 87476067

IUPAC2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
SMILESCc1ccc(-c2ccc(C(C)C)cc2)c2c1CC(CC1CCCCC1)=C2
InChIInChI=1S/C26H32/c1-18(2)22-10-12-23(13-11-22)24-14-9-19(3)25-16-21(17-26(24)25)15-20-7-5-4-6-8-20/h9-14,17-18,20H,4-8,15-16H2,1-3H3
InChIKeyPVJDDAAIBPZALV-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.70
Rot. Bonds4

About 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene

2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene (PubChem CID 87476067) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
PubChem CID87476067
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
SMILESCc1ccc(-c2ccc(C(C)C)cc2)c2c1CC(CC1CCCCC1)=C2
InChIInChI=1S/C26H32/c1-18(2)22-10-12-23(13-11-22)24-14-9-19(3)25-16-21(17-26(24)25)15-20-7-5-4-6-8-20/h9-14,17-18,20H,4-8,15-16H2,1-3H3
InChIKeyPVJDDAAIBPZALV-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
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-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
CID 87472369
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
CID 63435035
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene
CID 58689096

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene?
The IUPAC name of 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene (CID 87476067) is 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene.
What is the SMILES notation for 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene?
The canonical SMILES for 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene is Cc1ccc(-c2ccc(C(C)C)cc2)c2c1CC(CC1CCCCC1)=C2.
What is the InChIKey of 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene?
The InChIKey is PVJDDAAIBPZALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-18(2)22-10-12-23(13-11-22)24-14-9-19(3)25-16-21(17-26(24)25)15-20-7-5-4-6-8-20/h9-14,17-18,20H,4-8,15-16H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene?
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene has a molecular weight of 344.54 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene is sourced from PubChem (CID 87476067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).