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

C13H9Cl2FO — CID 119008746

IUPAC1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C13H9Cl2FO/c1-17-13-5-2-8(6-12(13)16)10-7-9(14)3-4-11(10)15/h2-7H,1H3
InChIKeyPFWAYDWNGAAVED-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.81
Rot. Bonds2

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

1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene (PubChem CID 119008746) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
PubChem CID119008746
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C13H9Cl2FO/c1-17-13-5-2-8(6-12(13)16)10-7-9(14)3-4-11(10)15/h2-7H,1H3
InChIKeyPFWAYDWNGAAVED-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

5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
3-chloro-4-(3-fluoro-4-methoxyphenyl)benzoic acid
CID 81308426
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 105371106
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
methyl 4-(2,5-dichlorophenyl)-2,6-difluorobenzoate
CID 119013644

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
The IUPAC name of 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene (CID 119008746) is 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene is COc1ccc(-c2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
The InChIKey is PFWAYDWNGAAVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c1-17-13-5-2-8(6-12(13)16)10-7-9(14)3-4-11(10)15/h2-7H,1H3.
What are the key properties of 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene?
1,4-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 1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene is sourced from PubChem (CID 119008746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).