3-chloro-1-fluoro-4-methoxy-2-propylbenzene

C10H12ClFO — CID 123641355

IUPAC3-chloro-1-fluoro-4-methoxy-2-propylbenzene
SMILESCCCc1c(F)ccc(OC)c1Cl
InChIInChI=1S/C10H12ClFO/c1-3-4-7-8(12)5-6-9(13-2)10(7)11/h5-6H,3-4H2,1-2H3
InChIKeyHBNCISCWNSBQCJ-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.44
Rot. Bonds3

About 3-chloro-1-fluoro-4-methoxy-2-propylbenzene

3-chloro-1-fluoro-4-methoxy-2-propylbenzene (PubChem CID 123641355) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 3-chloro-1-fluoro-4-methoxy-2-propylbenzene.

Molecular Properties

Compound Name3-chloro-1-fluoro-4-methoxy-2-propylbenzene
PubChem CID123641355
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name3-chloro-1-fluoro-4-methoxy-2-propylbenzene
SMILESCCCc1c(F)ccc(OC)c1Cl
InChIInChI=1S/C10H12ClFO/c1-3-4-7-8(12)5-6-9(13-2)10(7)11/h5-6H,3-4H2,1-2H3
InChIKeyHBNCISCWNSBQCJ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-1-fluoro-4-methoxy-2-propylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-4-methoxy-2-propylbenzene?
The IUPAC name of 3-chloro-1-fluoro-4-methoxy-2-propylbenzene (CID 123641355) is 3-chloro-1-fluoro-4-methoxy-2-propylbenzene.
What is the SMILES notation for 3-chloro-1-fluoro-4-methoxy-2-propylbenzene?
The canonical SMILES for 3-chloro-1-fluoro-4-methoxy-2-propylbenzene is CCCc1c(F)ccc(OC)c1Cl.
What is the InChIKey of 3-chloro-1-fluoro-4-methoxy-2-propylbenzene?
The InChIKey is HBNCISCWNSBQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-3-4-7-8(12)5-6-9(13-2)10(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-chloro-1-fluoro-4-methoxy-2-propylbenzene?
3-chloro-1-fluoro-4-methoxy-2-propylbenzene has a molecular weight of 202.66 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoro-4-methoxy-2-propylbenzene is sourced from PubChem (CID 123641355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).