1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene

C15H13Cl3 — CID 63431626

IUPAC1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
SMILESCCc1ccc(C(Cl)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl3/c1-2-10-6-8-11(9-7-10)15(18)14-12(16)4-3-5-13(14)17/h3-9,15H,2H2,1H3
InChIKeyARYMFOJFWGFHBZ-UHFFFAOYSA-N
MW299.63 g/mol
LogP5.88
Rot. Bonds3

About 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene

1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene (PubChem CID 63431626) has the molecular formula C15H13Cl3 and a molecular weight of 299.63 g/mol. Its IUPAC name is 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
PubChem CID63431626
Molecular FormulaC15H13Cl3
Molecular Weight299.63 g/mol
Exact Mass298.01
IUPAC Name1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
SMILESCCc1ccc(C(Cl)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl3/c1-2-10-6-8-11(9-7-10)15(18)14-12(16)4-3-5-13(14)17/h3-9,15H,2H2,1H3
InChIKeyARYMFOJFWGFHBZ-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.63
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene 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-[bromo-(4-ethylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 55199917
1-chloro-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-3-fluorobenzene
CID 63431072
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanol
CID 55187735
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829
1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484734
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
chloro-(4-ethylphenyl)methanamine
CID 116947710
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465958

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene (CID 63431626) is 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene is CCc1ccc(C(Cl)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene?
The InChIKey is ARYMFOJFWGFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3/c1-2-10-6-8-11(9-7-10)15(18)14-12(16)4-3-5-13(14)17/h3-9,15H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene?
1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene has a molecular weight of 299.63 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene is sourced from PubChem (CID 63431626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).