2-chloro-4-(4-chlorophenyl)-1-methoxybenzene

C13H10Cl2O — CID 71375177

IUPAC2-chloro-4-(4-chlorophenyl)-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C13H10Cl2O/c1-16-13-7-4-10(8-12(13)15)9-2-5-11(14)6-3-9/h2-8H,1H3
InChIKeyKXUXLMNJLIJICY-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene

2-chloro-4-(4-chlorophenyl)-1-methoxybenzene (PubChem CID 71375177) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-1-methoxybenzene
PubChem CID71375177
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name2-chloro-4-(4-chlorophenyl)-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C13H10Cl2O/c1-16-13-7-4-10(8-12(13)15)9-2-5-11(14)6-3-9/h2-8H,1H3
InChIKeyKXUXLMNJLIJICY-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methoxychlor
CID 4115
1-Chloro-2-methoxy-4-methylbenzene
CID 99352
1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene
CID 10062125
1,3-dichloro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11414783
3-Chloro-4-methoxytoluene
CID 140873
1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 11208222
1,3-dichloro-5-[(Z)-2-(3-methoxyphenyl)ethenyl]benzene
CID 11391816
1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 6110518
Benzyl o-chlorophenyl ether
CID 6421527
5-[1-(3-Chloro-4-methoxyphenyl)ethenyl]-1,2-dimethoxy-3-methylselanylbenzene
CID 137655042
2,4,6-Trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
CID 24762918
2,6,3'-Trichloro-3-hydroxy-4'-methoxybibenzyl
CID 24762920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene (CID 71375177) is 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene is COc1ccc(-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene?
The InChIKey is KXUXLMNJLIJICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c1-16-13-7-4-10(8-12(13)15)9-2-5-11(14)6-3-9/h2-8H,1H3.
What are the key properties of 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene?
2-chloro-4-(4-chlorophenyl)-1-methoxybenzene has a molecular weight of 253.13 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)-1-methoxybenzene is sourced from PubChem (CID 71375177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).