2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol

C10H12ClFO2 — CID 84684226

IUPAC2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(F)c(C(C)(C)O)c1
InChIInChI=1S/C10H12ClFO2/c1-10(2,13)7-4-6(14-3)5-8(11)9(7)12/h4-5,13H,1-3H3
InChIKeyCUUBWIGSGRIYKA-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.72
Rot. Bonds2

About 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol

2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol (PubChem CID 84684226) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
PubChem CID84684226
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(F)c(C(C)(C)O)c1
InChIInChI=1S/C10H12ClFO2/c1-10(2,13)7-4-6(14-3)5-8(11)9(7)12/h4-5,13H,1-3H3
InChIKeyCUUBWIGSGRIYKA-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
CID 117306060
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117380036
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-chloro-4-methoxy-6-(trifluoromethyl)benzoyl chloride
CID 171002954
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
tert-butyl-[3-chloro-4-fluoro-5-(trifluoromethyl)phenoxy]-dimethylsilane
CID 125115885

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol (CID 84684226) is 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol is COc1cc(Cl)c(F)c(C(C)(C)O)c1.
What is the InChIKey of 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol?
The InChIKey is CUUBWIGSGRIYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-10(2,13)7-4-6(14-3)5-8(11)9(7)12/h4-5,13H,1-3H3.
What are the key properties of 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol?
2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol has a molecular weight of 218.65 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 84684226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).