1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene

C13H9Cl2FO — CID 134623746

IUPAC1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
SMILESCOc1cc(-c2cc(Cl)cc(Cl)c2)ccc1F
InChIInChI=1S/C13H9Cl2FO/c1-17-13-6-8(2-3-12(13)16)9-4-10(14)7-11(15)5-9/h2-7H,1H3
InChIKeyQTXGSROPSJQYDV-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.81
Rot. Bonds2

About 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene

1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene (PubChem CID 134623746) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
PubChem CID134623746
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
SMILESCOc1cc(-c2cc(Cl)cc(Cl)c2)ccc1F
InChIInChI=1S/C13H9Cl2FO/c1-17-13-6-8(2-3-12(13)16)9-4-10(14)7-11(15)5-9/h2-7H,1H3
InChIKeyQTXGSROPSJQYDV-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-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
CID 53218961
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
CID 123222011
5-(3-chloro-5-fluorophenyl)-2-methoxyphenol
CID 53220924
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
4-(4-fluoro-3-methoxyphenyl)benzoate
CID 86307174
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
3-chloro-5-(3,4-dimethoxyphenyl)benzonitrile
CID 172993862

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene?
The IUPAC name of 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene (CID 134623746) is 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene is COc1cc(-c2cc(Cl)cc(Cl)c2)ccc1F.
What is the InChIKey of 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene?
The InChIKey is QTXGSROPSJQYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c1-17-13-6-8(2-3-12(13)16)9-4-10(14)7-11(15)5-9/h2-7H,1H3.
What are the key properties of 1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene?
1,3-dichloro-5-(4-fluoro-3-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-5-(4-fluoro-3-methoxyphenyl)benzene is sourced from PubChem (CID 134623746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).