[bromo-(3,4-dichlorophenyl)methyl]cycloheptane

C14H17BrCl2 — CID 63445197

IUPAC[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
SMILESClc1ccc(C(Br)C2CCCCCC2)cc1Cl
InChIInChI=1S/C14H17BrCl2/c15-14(10-5-3-1-2-4-6-10)11-7-8-12(16)13(17)9-11/h7-10,14H,1-6H2
InChIKeySVDPPXAMTJPJCK-UHFFFAOYSA-N
MW336.10 g/mol
LogP6.40
Rot. Bonds2

About [bromo-(3,4-dichlorophenyl)methyl]cycloheptane

[bromo-(3,4-dichlorophenyl)methyl]cycloheptane (PubChem CID 63445197) has the molecular formula C14H17BrCl2 and a molecular weight of 336.10 g/mol. Its IUPAC name is [bromo-(3,4-dichlorophenyl)methyl]cycloheptane.

Molecular Properties

Compound Name[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
PubChem CID63445197
Molecular FormulaC14H17BrCl2
Molecular Weight336.10 g/mol
Exact Mass333.99
IUPAC Name[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
SMILESClc1ccc(C(Br)C2CCCCCC2)cc1Cl
InChIInChI=1S/C14H17BrCl2/c15-14(10-5-3-1-2-4-6-10)11-7-8-12(16)13(17)9-11/h7-10,14H,1-6H2
InChIKeySVDPPXAMTJPJCK-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.10
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [bromo-(3,4-dichlorophenyl)methyl]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

cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
CID 87324074
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
CID 65021234
[bromo-(3-bromo-4-ethoxyphenyl)methyl]cyclooctane
CID 104661662
[bromo-(4-phenylphenyl)methyl]cycloheptane
CID 63438273
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
CID 63444266

Frequently Asked Questions

What is the IUPAC name of [bromo-(3,4-dichlorophenyl)methyl]cycloheptane?
The IUPAC name of [bromo-(3,4-dichlorophenyl)methyl]cycloheptane (CID 63445197) is [bromo-(3,4-dichlorophenyl)methyl]cycloheptane.
What is the SMILES notation for [bromo-(3,4-dichlorophenyl)methyl]cycloheptane?
The canonical SMILES for [bromo-(3,4-dichlorophenyl)methyl]cycloheptane is Clc1ccc(C(Br)C2CCCCCC2)cc1Cl.
What is the InChIKey of [bromo-(3,4-dichlorophenyl)methyl]cycloheptane?
The InChIKey is SVDPPXAMTJPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2/c15-14(10-5-3-1-2-4-6-10)11-7-8-12(16)13(17)9-11/h7-10,14H,1-6H2.
What are the key properties of [bromo-(3,4-dichlorophenyl)methyl]cycloheptane?
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane has a molecular weight of 336.10 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo-(3,4-dichlorophenyl)methyl]cycloheptane is sourced from PubChem (CID 63445197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).