2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol

C10H12ClFO2 — CID 105426373

IUPAC2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
SMILESCOc1ccc(Cl)cc1C(C)(F)CO
InChIInChI=1S/C10H12ClFO2/c1-10(12,6-13)8-5-7(11)3-4-9(8)14-2/h3-5,13H,6H2,1-2H3
InChIKeyGAGKSWJKYZNIJY-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.53
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol

2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol (PubChem CID 105426373) has the molecular formula C10H12ClFO2 and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
PubChem CID105426373
Molecular FormulaC10H12ClFO2
Molecular Weight218.66 g/mol
Exact Mass218.05
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
SMILESCOc1ccc(Cl)cc1C(C)(F)CO
InChIInChI=1S/C10H12ClFO2/c1-10(12,6-13)8-5-7(11)3-4-9(8)14-2/h3-5,13H,6H2,1-2H3
InChIKeyGAGKSWJKYZNIJY-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-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-methoxyphenyl)propane-2-thiol
CID 116866548
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 62788121
2-(5-chloro-2-methoxyphenyl)-2-methylbutanoic acid
CID 83843382
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
CID 105424355
1-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 62787429
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
CID 130684058
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
CID 105425939
4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol (CID 105426373) is 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol is COc1ccc(Cl)cc1C(C)(F)CO.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol?
The InChIKey is GAGKSWJKYZNIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-10(12,6-13)8-5-7(11)3-4-9(8)14-2/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol?
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol has a molecular weight of 218.66 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105426373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).