3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene

C25H17Cl3O — CID 57130266

IUPAC3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2Cl)cc1
InChIInChI=1S/C25H17Cl3O/c1-29-21-12-6-17(7-13-21)23-15-14-22(16-2-8-19(26)9-3-16)24(25(23)28)18-4-10-20(27)11-5-18/h2-15H,1H3
InChIKeyQUWLZUJYFWDMLR-UHFFFAOYSA-N
MW439.77 g/mol
LogP8.66
Rot. Bonds4

About 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene

3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene (PubChem CID 57130266) has the molecular formula C25H17Cl3O and a molecular weight of 439.77 g/mol. Its IUPAC name is 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
PubChem CID57130266
Molecular FormulaC25H17Cl3O
Molecular Weight439.77 g/mol
Exact Mass438.03
IUPAC Name3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2Cl)cc1
InChIInChI=1S/C25H17Cl3O/c1-29-21-12-6-17(7-13-21)23-15-14-22(16-2-8-19(26)9-3-16)24(25(23)28)18-4-10-20(27)11-5-18/h2-15H,1H3
InChIKeyQUWLZUJYFWDMLR-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 22048158
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
CID 162716901
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
CID 141399604
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene?
The IUPAC name of 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene (CID 57130266) is 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2Cl)cc1.
What is the InChIKey of 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene?
The InChIKey is QUWLZUJYFWDMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3O/c1-29-21-12-6-17(7-13-21)23-15-14-22(16-2-8-19(26)9-3-16)24(25(23)28)18-4-10-20(27)11-5-18/h2-15H,1H3.
What are the key properties of 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene?
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene has a molecular weight of 439.77 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 57130266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).