1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene

C14H14Cl2 — CID 150971414

IUPAC1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESClCc1ccc(C2(CCl)C=CC=CC2)cc1
InChIInChI=1S/C14H14Cl2/c15-10-12-4-6-13(7-5-12)14(11-16)8-2-1-3-9-14/h1-8H,9-11H2
InChIKeyLOEQQIHXKRKNCQ-UHFFFAOYSA-N
MW253.17 g/mol
LogP4.42
Rot. Bonds3

About 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene

1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene (PubChem CID 150971414) has the molecular formula C14H14Cl2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene
PubChem CID150971414
Molecular FormulaC14H14Cl2
Molecular Weight253.17 g/mol
Exact Mass252.05
IUPAC Name1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESClCc1ccc(C2(CCl)C=CC=CC2)cc1
InChIInChI=1S/C14H14Cl2/c15-10-12-4-6-13(7-5-12)14(11-16)8-2-1-3-9-14/h1-8H,9-11H2
InChIKeyLOEQQIHXKRKNCQ-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene?
The IUPAC name of 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene (CID 150971414) is 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene is ClCc1ccc(C2(CCl)C=CC=CC2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene?
The InChIKey is LOEQQIHXKRKNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2/c15-10-12-4-6-13(7-5-12)14(11-16)8-2-1-3-9-14/h1-8H,9-11H2.
What are the key properties of 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene?
1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene has a molecular weight of 253.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene is sourced from PubChem (CID 150971414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).