1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol

C11H14ClFO3 — CID 117374936

IUPAC1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(F)c(Cl)c1OC
InChIInChI=1S/C11H14ClFO3/c1-6(14)4-7-5-8(15-2)11(16-3)9(12)10(7)13/h5-6,14H,4H2,1-3H3
InChIKeyAZVYPBFSSZBETL-UHFFFAOYSA-N
MW248.68 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol

1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol (PubChem CID 117374936) has the molecular formula C11H14ClFO3 and a molecular weight of 248.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
PubChem CID117374936
Molecular FormulaC11H14ClFO3
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(F)c(Cl)c1OC
InChIInChI=1S/C11H14ClFO3/c1-6(14)4-7-5-8(15-2)11(16-3)9(12)10(7)13/h5-6,14H,4H2,1-3H3
InChIKeyAZVYPBFSSZBETL-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
CID 117114545
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
3-(2-hydroxypropyl)-4,5-dimethoxybenzonitrile
CID 117315583

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol (CID 117374936) is 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol is COc1cc(CC(C)O)c(F)c(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
The InChIKey is AZVYPBFSSZBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3/c1-6(14)4-7-5-8(15-2)11(16-3)9(12)10(7)13/h5-6,14H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol has a molecular weight of 248.68 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117374936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).