1,4-bis(4-chlorophenoxy)benzene

C18H12Cl2O2 — CID 10996522

IUPAC1,4-bis(4-chlorophenoxy)benzene
SMILESClc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C18H12Cl2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H
InChIKeyCDKWVMNRYRQMQW-UHFFFAOYSA-N
MW331.20 g/mol
LogP6.58
Rot. Bonds4

About 1,4-bis(4-chlorophenoxy)benzene

1,4-bis(4-chlorophenoxy)benzene (PubChem CID 10996522) has the molecular formula C18H12Cl2O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1,4-bis(4-chlorophenoxy)benzene.

Molecular Properties

Compound Name1,4-bis(4-chlorophenoxy)benzene
PubChem CID10996522
Molecular FormulaC18H12Cl2O2
Molecular Weight331.20 g/mol
Exact Mass330.02
IUPAC Name1,4-bis(4-chlorophenoxy)benzene
SMILESClc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C18H12Cl2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H
InChIKeyCDKWVMNRYRQMQW-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.20
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenoxy)phenyl]methylazanium
CID 7022021
S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine
CID 143260903
5-(4-chlorophenoxy)benzene-1,3-diol
CID 123195227
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
2,6-dichloro-4-(4-chlorophenoxy)phenol
CID 21278927
chlorobenzene;phenoxybenzene
CID 66911253
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
2-bromo-5-(4-chlorophenoxy)pyridine
CID 102468097
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-chlorophenoxy)benzene?
The IUPAC name of 1,4-bis(4-chlorophenoxy)benzene (CID 10996522) is 1,4-bis(4-chlorophenoxy)benzene.
What is the SMILES notation for 1,4-bis(4-chlorophenoxy)benzene?
The canonical SMILES for 1,4-bis(4-chlorophenoxy)benzene is Clc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis(4-chlorophenoxy)benzene?
The InChIKey is CDKWVMNRYRQMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H.
What are the key properties of 1,4-bis(4-chlorophenoxy)benzene?
1,4-bis(4-chlorophenoxy)benzene has a molecular weight of 331.20 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-chlorophenoxy)benzene is sourced from PubChem (CID 10996522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).