1-chloro-4-[dichloro(phenyl)methyl]benzene

C13H9Cl3 — CID 11000180

IUPAC1-chloro-4-[dichloro(phenyl)methyl]benzene
SMILESClc1ccc(C(Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C13H9Cl3/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKeyIBVUNQJEQGNNRI-UHFFFAOYSA-N
MW271.57 g/mol
LogP5.02
Rot. Bonds2

About 1-chloro-4-[dichloro(phenyl)methyl]benzene

1-chloro-4-[dichloro(phenyl)methyl]benzene (PubChem CID 11000180) has the molecular formula C13H9Cl3 and a molecular weight of 271.57 g/mol. Its IUPAC name is 1-chloro-4-[dichloro(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[dichloro(phenyl)methyl]benzene
PubChem CID11000180
Molecular FormulaC13H9Cl3
Molecular Weight271.57 g/mol
Exact Mass269.98
IUPAC Name1-chloro-4-[dichloro(phenyl)methyl]benzene
SMILESClc1ccc(C(Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C13H9Cl3/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKeyIBVUNQJEQGNNRI-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.57
LogP ≤ 55.02
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-chloro-4-tritylbenzene
CID 14737307
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene
CID 86006931
4-[dichloro(phenyl)methyl]benzoic acid
CID 57006403
bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate
CID 157326540
benzene;chlorobenzene
CID 159657667
chlorobenzene;trifluoromethylbenzene
CID 159341337
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
1-chloro-4-[diisocyanato(phenyl)methyl]benzene
CID 141414118
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
azane;chlorobenzene
CID 20560159

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[dichloro(phenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[dichloro(phenyl)methyl]benzene (CID 11000180) is 1-chloro-4-[dichloro(phenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[dichloro(phenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[dichloro(phenyl)methyl]benzene is Clc1ccc(C(Cl)(Cl)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[dichloro(phenyl)methyl]benzene?
The InChIKey is IBVUNQJEQGNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-chloro-4-[dichloro(phenyl)methyl]benzene?
1-chloro-4-[dichloro(phenyl)methyl]benzene has a molecular weight of 271.57 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[dichloro(phenyl)methyl]benzene is sourced from PubChem (CID 11000180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).