(3-benzyl-4-chlorocyclohexyl)benzene

C19H21Cl — CID 63471398

IUPAC(3-benzyl-4-chlorocyclohexyl)benzene
SMILESClC1CCC(c2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C19H21Cl/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyWBPDKBKQELMWQB-UHFFFAOYSA-N
MW284.83 g/mol
LogP5.42
Rot. Bonds3

About (3-benzyl-4-chlorocyclohexyl)benzene

(3-benzyl-4-chlorocyclohexyl)benzene (PubChem CID 63471398) has the molecular formula C19H21Cl and a molecular weight of 284.83 g/mol. Its IUPAC name is (3-benzyl-4-chlorocyclohexyl)benzene.

Molecular Properties

Compound Name(3-benzyl-4-chlorocyclohexyl)benzene
PubChem CID63471398
Molecular FormulaC19H21Cl
Molecular Weight284.83 g/mol
Exact Mass284.13
IUPAC Name(3-benzyl-4-chlorocyclohexyl)benzene
SMILESClC1CCC(c2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C19H21Cl/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyWBPDKBKQELMWQB-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.83
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-chlorocyclohexyl)benzene?
The IUPAC name of (3-benzyl-4-chlorocyclohexyl)benzene (CID 63471398) is (3-benzyl-4-chlorocyclohexyl)benzene.
What is the SMILES notation for (3-benzyl-4-chlorocyclohexyl)benzene?
The canonical SMILES for (3-benzyl-4-chlorocyclohexyl)benzene is ClC1CCC(c2ccccc2)CC1Cc1ccccc1.
What is the InChIKey of (3-benzyl-4-chlorocyclohexyl)benzene?
The InChIKey is WBPDKBKQELMWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2.
What are the key properties of (3-benzyl-4-chlorocyclohexyl)benzene?
(3-benzyl-4-chlorocyclohexyl)benzene has a molecular weight of 284.83 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-4-chlorocyclohexyl)benzene is sourced from PubChem (CID 63471398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).