1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene

C18H19Cl — CID 116540324

IUPAC1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene
SMILESCC1(c2ccc(-c3ccccc3)cc2)CCC(Cl)C1
InChIInChI=1S/C18H19Cl/c1-18(12-11-17(19)13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyIOMBEKFGIHECDI-UHFFFAOYSA-N
MW270.80 g/mol
LogP5.40
Rot. Bonds2

About 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene

1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene (PubChem CID 116540324) has the molecular formula C18H19Cl and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene
PubChem CID116540324
Molecular FormulaC18H19Cl
Molecular Weight270.80 g/mol
Exact Mass270.12
IUPAC Name1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene
SMILESCC1(c2ccc(-c3ccccc3)cc2)CCC(Cl)C1
InChIInChI=1S/C18H19Cl/c1-18(12-11-17(19)13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyIOMBEKFGIHECDI-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.80
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(4-phenylphenyl)cyclopentan-1-amine
CID 116538694
1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene
CID 116540273
3-(3-chloro-1-methylcyclopentyl)quinoline
CID 116540254
4-(3-chloro-1-methylcyclopentyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290355
cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
CID 173470709
(1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 46949150
methyl (2S,4S)-4-methyl-4-(4-phenylphenyl)pyrrolidine-2-carboxylate
CID 118630371
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
3-(3-chloro-1-methylcyclopentyl)propoxybenzene
CID 116540356
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene?
The IUPAC name of 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene (CID 116540324) is 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene.
What is the SMILES notation for 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene?
The canonical SMILES for 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene is CC1(c2ccc(-c3ccccc3)cc2)CCC(Cl)C1.
What is the InChIKey of 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene?
The InChIKey is IOMBEKFGIHECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl/c1-18(12-11-17(19)13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3.
What are the key properties of 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene?
1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene has a molecular weight of 270.80 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene is sourced from PubChem (CID 116540324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).