4-chloro-2-fluoro-1-(2-methoxypropyl)benzene

C10H12ClFO — CID 54137642

IUPAC4-chloro-2-fluoro-1-(2-methoxypropyl)benzene
SMILESCOC(C)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFO/c1-7(13-2)5-8-3-4-9(11)6-10(8)12/h3-4,6-7H,5H2,1-2H3
InChIKeyLNPYRXFLKOBQAW-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene

4-chloro-2-fluoro-1-(2-methoxypropyl)benzene (PubChem CID 54137642) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-(2-methoxypropyl)benzene
PubChem CID54137642
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name4-chloro-2-fluoro-1-(2-methoxypropyl)benzene
SMILESCOC(C)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFO/c1-7(13-2)5-8-3-4-9(11)6-10(8)12/h3-4,6-7H,5H2,1-2H3
InChIKeyLNPYRXFLKOBQAW-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-fluoro-1-(2-methoxypropyl)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

Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
p-Chlorophenethylic alcohol
CID 74647
4-Chloro-alpha,alpha-dimethylbenzeneethanol
CID 79609
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(4-chlorophenyl)ethan-1-ol
CID 643324
(1S)-1-(4-chlorophenyl)ethan-1-ol
CID 6950175
2-(4-Chlorophenyl)prop-2-en-1-ol
CID 10654689
1-Chloro-4-(3-chloro-1-methoxypropyl)benzene
CID 97935
1-(4-Chlorophenyl)butan-1-ol
CID 117166
Oxirane, 2-((4-chlorophenyl)methyl)-
CID 148012
(S)-1-(4-chlorophenyl)propan-1-ol
CID 11073860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene?
The IUPAC name of 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene (CID 54137642) is 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene is COC(C)Cc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene?
The InChIKey is LNPYRXFLKOBQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(13-2)5-8-3-4-9(11)6-10(8)12/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene?
4-chloro-2-fluoro-1-(2-methoxypropyl)benzene has a molecular weight of 202.66 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-(2-methoxypropyl)benzene is sourced from PubChem (CID 54137642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).