1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene

C20H23Cl — CID 107182438

IUPAC1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
SMILESCC1CCCC1C(Cl)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H23Cl/c1-15-6-5-9-19(15)20(21)18-12-10-17(11-13-18)14-16-7-3-2-4-8-16/h2-4,7-8,10-13,15,19-20H,5-6,9,14H2,1H3
InChIKeyNFISHVRXXCDQRT-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.99
Rot. Bonds4

About 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene

1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene (PubChem CID 107182438) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene.

Molecular Properties

Compound Name1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
PubChem CID107182438
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
SMILESCC1CCCC1C(Cl)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H23Cl/c1-15-6-5-9-19(15)20(21)18-12-10-17(11-13-18)14-16-7-3-2-4-8-16/h2-4,7-8,10-13,15,19-20H,5-6,9,14H2,1H3
InChIKeyNFISHVRXXCDQRT-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 55.99
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

1-[chloro-(2-methylcyclopentyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 107182463
4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
CID 114826999
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
CID 107182429
1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
CID 63432112
2-[chloro-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182339
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
2-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107181986
2-bromo-4-[chloro-(2-methylcyclopentyl)methyl]-1-ethoxybenzene
CID 107182624
1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 63431901
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene?
The IUPAC name of 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene (CID 107182438) is 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene.
What is the SMILES notation for 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene?
The canonical SMILES for 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene is CC1CCCC1C(Cl)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene?
The InChIKey is NFISHVRXXCDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-15-6-5-9-19(15)20(21)18-12-10-17(11-13-18)14-16-7-3-2-4-8-16/h2-4,7-8,10-13,15,19-20H,5-6,9,14H2,1H3.
What are the key properties of 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene?
1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene has a molecular weight of 298.86 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene is sourced from PubChem (CID 107182438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).