1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene

C14H9Cl2F3O — CID 119017007

IUPAC1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(-c2cccc(Cl)c2Cl)c1C(F)(F)F
InChIInChI=1S/C14H9Cl2F3O/c1-20-11-7-3-4-8(12(11)14(17,18)19)9-5-2-6-10(15)13(9)16/h2-7H,1H3
InChIKeyOIKYCYFNLDNHAJ-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.69
Rot. Bonds2

About 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene

1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene (PubChem CID 119017007) has the molecular formula C14H9Cl2F3O and a molecular weight of 321.13 g/mol. Its IUPAC name is 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
PubChem CID119017007
Molecular FormulaC14H9Cl2F3O
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(-c2cccc(Cl)c2Cl)c1C(F)(F)F
InChIInChI=1S/C14H9Cl2F3O/c1-20-11-7-3-4-8(12(11)14(17,18)19)9-5-2-6-10(15)13(9)16/h2-7H,1H3
InChIKeyOIKYCYFNLDNHAJ-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.13
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene 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

1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 134627077
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
[3-methoxy-2-(trifluoromethyl)phenyl]hydrazine
CID 130053332

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene (CID 119017007) is 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene is COc1cccc(-c2cccc(Cl)c2Cl)c1C(F)(F)F.
What is the InChIKey of 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is OIKYCYFNLDNHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3O/c1-20-11-7-3-4-8(12(11)14(17,18)19)9-5-2-6-10(15)13(9)16/h2-7H,1H3.
What are the key properties of 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene has a molecular weight of 321.13 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119017007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).