(1-chloro-2-phenylethyl)cycloheptane

C15H21Cl — CID 63542336

IUPAC(1-chloro-2-phenylethyl)cycloheptane
SMILESClC(Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C15H21Cl/c16-15(12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChIKeyAUUFSCLTZPHGTJ-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.81
Rot. Bonds3

About (1-chloro-2-phenylethyl)cycloheptane

(1-chloro-2-phenylethyl)cycloheptane (PubChem CID 63542336) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is (1-chloro-2-phenylethyl)cycloheptane.

Molecular Properties

Compound Name(1-chloro-2-phenylethyl)cycloheptane
PubChem CID63542336
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name(1-chloro-2-phenylethyl)cycloheptane
SMILESClC(Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C15H21Cl/c16-15(12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChIKeyAUUFSCLTZPHGTJ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1-chloro-2-phenylethyl)cycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-cyclohexyl-3-phenylpropan-1-ol
CID 82936977
2-cyclohexylpropylbenzene
CID 15846297
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
[1-chloro-2-(4-nitrophenyl)ethyl]cycloheptane
CID 63542815
1-cyclopentyl-2-phenylethanamine
CID 50988646
[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-phenylethyl)cycloheptane?
The IUPAC name of (1-chloro-2-phenylethyl)cycloheptane (CID 63542336) is (1-chloro-2-phenylethyl)cycloheptane.
What is the SMILES notation for (1-chloro-2-phenylethyl)cycloheptane?
The canonical SMILES for (1-chloro-2-phenylethyl)cycloheptane is ClC(Cc1ccccc1)C1CCCCCC1.
What is the InChIKey of (1-chloro-2-phenylethyl)cycloheptane?
The InChIKey is AUUFSCLTZPHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c16-15(12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-9,14-15H,1-2,6-7,10-12H2.
What are the key properties of (1-chloro-2-phenylethyl)cycloheptane?
(1-chloro-2-phenylethyl)cycloheptane has a molecular weight of 236.79 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-phenylethyl)cycloheptane is sourced from PubChem (CID 63542336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).