1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene

C13H9Cl2FO — CID 118991494

IUPAC1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C13H9Cl2FO/c1-17-12-6-5-8(7-11(12)16)13-9(14)3-2-4-10(13)15/h2-7H,1H3
InChIKeyBFDKJWREGNKETC-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.81
Rot. Bonds2

About 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene

1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene (PubChem CID 118991494) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
PubChem CID118991494
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C13H9Cl2FO/c1-17-12-6-5-8(7-11(12)16)13-9(14)3-2-4-10(13)15/h2-7H,1H3
InChIKeyBFDKJWREGNKETC-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
CID 168514944
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione
CID 106517322
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene (CID 118991494) is 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene is COc1ccc(-c2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
The InChIKey is BFDKJWREGNKETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c1-17-12-6-5-8(7-11(12)16)13-9(14)3-2-4-10(13)15/h2-7H,1H3.
What are the key properties of 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene has a molecular weight of 271.12 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene is sourced from PubChem (CID 118991494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).