1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene

C14H12ClFO2 — CID 146431475

IUPAC1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
SMILESCOc1ccc(-c2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C14H12ClFO2/c1-17-9-6-7-10(13(8-9)18-2)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3
InChIKeyMAUWRCKUVIVOIR-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.16
Rot. Bonds3

About 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene

1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene (PubChem CID 146431475) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
PubChem CID146431475
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
SMILESCOc1ccc(-c2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C14H12ClFO2/c1-17-9-6-7-10(13(8-9)18-2)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3
InChIKeyMAUWRCKUVIVOIR-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
1-(2,4-dimethoxyphenyl)-2-fluoronaphthalene
CID 130198538
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950297
7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3776124
ethyl 6-(2-chloro-6-fluorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 86805893
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
CID 161298518
7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole
CID 67021100

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene?
The IUPAC name of 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene (CID 146431475) is 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene is COc1ccc(-c2c(F)cccc2Cl)c(OC)c1.
What is the InChIKey of 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene?
The InChIKey is MAUWRCKUVIVOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-17-9-6-7-10(13(8-9)18-2)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3.
What are the key properties of 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene?
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene has a molecular weight of 266.70 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene is sourced from PubChem (CID 146431475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).