2-chloro-1,3-bis(3-chlorophenyl)benzene

C18H11Cl3 — CID 54080795

IUPAC2-chloro-1,3-bis(3-chlorophenyl)benzene
SMILESClc1cccc(-c2cccc(-c3cccc(Cl)c3)c2Cl)c1
InChIInChI=1S/C18H11Cl3/c19-14-6-1-4-12(10-14)16-8-3-9-17(18(16)21)13-5-2-7-15(20)11-13/h1-11H
InChIKeyDBIFUSZQETVHAE-UHFFFAOYSA-N
MW333.65 g/mol
LogP6.98
Rot. Bonds2

About 2-chloro-1,3-bis(3-chlorophenyl)benzene

2-chloro-1,3-bis(3-chlorophenyl)benzene (PubChem CID 54080795) has the molecular formula C18H11Cl3 and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-chloro-1,3-bis(3-chlorophenyl)benzene.

Molecular Properties

Compound Name2-chloro-1,3-bis(3-chlorophenyl)benzene
PubChem CID54080795
Molecular FormulaC18H11Cl3
Molecular Weight333.65 g/mol
Exact Mass331.99
IUPAC Name2-chloro-1,3-bis(3-chlorophenyl)benzene
SMILESClc1cccc(-c2cccc(-c3cccc(Cl)c3)c2Cl)c1
InChIInChI=1S/C18H11Cl3/c19-14-6-1-4-12(10-14)16-8-3-9-17(18(16)21)13-5-2-7-15(20)11-13/h1-11H
InChIKeyDBIFUSZQETVHAE-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.65
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
CID 54176640
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
2-(3-chlorophenyl)benzenesulfinamide
CID 155244785
7-(3-chlorophenyl)-1H-indole
CID 22049184
[2-[3-(3-chlorophenyl)phenyl]phenyl]boronic acid
CID 177272028
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899
3-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
2-(3-chlorophenyl)-6-fluorobenzaldehyde
CID 172993863
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-bis(3-chlorophenyl)benzene?
The IUPAC name of 2-chloro-1,3-bis(3-chlorophenyl)benzene (CID 54080795) is 2-chloro-1,3-bis(3-chlorophenyl)benzene.
What is the SMILES notation for 2-chloro-1,3-bis(3-chlorophenyl)benzene?
The canonical SMILES for 2-chloro-1,3-bis(3-chlorophenyl)benzene is Clc1cccc(-c2cccc(-c3cccc(Cl)c3)c2Cl)c1.
What is the InChIKey of 2-chloro-1,3-bis(3-chlorophenyl)benzene?
The InChIKey is DBIFUSZQETVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3/c19-14-6-1-4-12(10-14)16-8-3-9-17(18(16)21)13-5-2-7-15(20)11-13/h1-11H.
What are the key properties of 2-chloro-1,3-bis(3-chlorophenyl)benzene?
2-chloro-1,3-bis(3-chlorophenyl)benzene has a molecular weight of 333.65 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-bis(3-chlorophenyl)benzene is sourced from PubChem (CID 54080795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).