1-chloro-2-(4-ethylphenyl)cycloheptane

C15H21Cl — CID 63510791

IUPAC1-chloro-2-(4-ethylphenyl)cycloheptane
SMILESCCc1ccc(C2CCCCCC2Cl)cc1
InChIInChI=1S/C15H21Cl/c1-2-12-8-10-13(11-9-12)14-6-4-3-5-7-15(14)16/h8-11,14-15H,2-7H2,1H3
InChIKeyBYVRBKPCTLUVKV-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.90
Rot. Bonds2

About 1-chloro-2-(4-ethylphenyl)cycloheptane

1-chloro-2-(4-ethylphenyl)cycloheptane (PubChem CID 63510791) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-chloro-2-(4-ethylphenyl)cycloheptane.

Molecular Properties

Compound Name1-chloro-2-(4-ethylphenyl)cycloheptane
PubChem CID63510791
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-chloro-2-(4-ethylphenyl)cycloheptane
SMILESCCc1ccc(C2CCCCCC2Cl)cc1
InChIInChI=1S/C15H21Cl/c1-2-12-8-10-13(11-9-12)14-6-4-3-5-7-15(14)16/h8-11,14-15H,2-7H2,1H3
InChIKeyBYVRBKPCTLUVKV-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.90
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-(2-chlorocyclopropyl)-4-ethylbenzene
CID 154973164
2-(4-ethylphenyl)cyclopentan-1-amine
CID 62605664
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81028545
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
5-(2-chlorocycloheptyl)-2-methylpyridine
CID 63156025
1-chloro-2-(3-chloro-4-methylphenyl)cycloheptane
CID 107560894
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol
CID 143942234
1-(2-bromo-1,1-dimethoxyethyl)-4-(2-chlorocyclohexyl)benzene
CID 57143074
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene
CID 107129356

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-ethylphenyl)cycloheptane?
The IUPAC name of 1-chloro-2-(4-ethylphenyl)cycloheptane (CID 63510791) is 1-chloro-2-(4-ethylphenyl)cycloheptane.
What is the SMILES notation for 1-chloro-2-(4-ethylphenyl)cycloheptane?
The canonical SMILES for 1-chloro-2-(4-ethylphenyl)cycloheptane is CCc1ccc(C2CCCCCC2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-ethylphenyl)cycloheptane?
The InChIKey is BYVRBKPCTLUVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-2-12-8-10-13(11-9-12)14-6-4-3-5-7-15(14)16/h8-11,14-15H,2-7H2,1H3.
What are the key properties of 1-chloro-2-(4-ethylphenyl)cycloheptane?
1-chloro-2-(4-ethylphenyl)cycloheptane has a molecular weight of 236.79 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-ethylphenyl)cycloheptane is sourced from PubChem (CID 63510791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).