1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene

C10H12ClFO2 — CID 82727335

IUPAC1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
SMILESCOCCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFO2/c1-13-5-2-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyJPCJWTKUSCQVHP-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.89
Rot. Bonds5

About 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene

1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene (PubChem CID 82727335) has the molecular formula C10H12ClFO2 and a molecular weight of 218.66 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
PubChem CID82727335
Molecular FormulaC10H12ClFO2
Molecular Weight218.66 g/mol
Exact Mass218.05
IUPAC Name1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
SMILESCOCCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFO2/c1-13-5-2-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyJPCJWTKUSCQVHP-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-chloro-2-fluoro-4-(3-methoxypropoxy)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

2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
1-chloro-4-(2-ethylsulfanylethoxy)-2-fluorobenzene
CID 115899258
N-[2-(4-chloro-3-fluorophenoxy)ethyl]butan-1-amine
CID 82727610
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
2-chloro-4-(4-methoxybutoxy)aniline
CID 104646773
4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
CID 82716995
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene (CID 82727335) is 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene is COCCCOc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene?
The InChIKey is JPCJWTKUSCQVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-13-5-2-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene?
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene has a molecular weight of 218.66 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene is sourced from PubChem (CID 82727335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).