2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol

C10H11ClF2O2 — CID 117345755

IUPAC2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)cc(Cl)c(F)c1F
InChIInChI=1S/C10H11ClF2O2/c1-5(4-14)6-3-7(11)8(12)9(13)10(6)15-2/h3,5,14H,4H2,1-2H3
InChIKeyULAIGWMNADVGDQ-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol

2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol (PubChem CID 117345755) has the molecular formula C10H11ClF2O2 and a molecular weight of 236.64 g/mol. Its IUPAC name is 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
PubChem CID117345755
Molecular FormulaC10H11ClF2O2
Molecular Weight236.64 g/mol
Exact Mass236.04
IUPAC Name2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)cc(Cl)c(F)c1F
InChIInChI=1S/C10H11ClF2O2/c1-5(4-14)6-3-7(11)8(12)9(13)10(6)15-2/h3,5,14H,4H2,1-2H3
InChIKeyULAIGWMNADVGDQ-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol 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-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
2-(3-chloro-2,5-difluorophenyl)propan-1-ol
CID 117295350
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 117363911
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)butanal
CID 117369112
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol (CID 117345755) is 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol is COc1c(C(C)CO)cc(Cl)c(F)c1F.
What is the InChIKey of 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol?
The InChIKey is ULAIGWMNADVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2/c1-5(4-14)6-3-7(11)8(12)9(13)10(6)15-2/h3,5,14H,4H2,1-2H3.
What are the key properties of 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol?
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol has a molecular weight of 236.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117345755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).