4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol

C10H12ClFO3 — CID 117341360

IUPAC4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
SMILESCOc1c(O)c(CC(C)O)cc(Cl)c1F
InChIInChI=1S/C10H12ClFO3/c1-5(13)3-6-4-7(11)8(12)10(15-2)9(6)14/h4-5,13-14H,3H2,1-2H3
InChIKeyFHBFRZDPRAEEFM-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.12
Rot. Bonds3

About 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol

4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol (PubChem CID 117341360) has the molecular formula C10H12ClFO3 and a molecular weight of 234.65 g/mol. Its IUPAC name is 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
PubChem CID117341360
Molecular FormulaC10H12ClFO3
Molecular Weight234.65 g/mol
Exact Mass234.05
IUPAC Name4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
SMILESCOc1c(O)c(CC(C)O)cc(Cl)c1F
InChIInChI=1S/C10H12ClFO3/c1-5(13)3-6-4-7(11)8(12)10(15-2)9(6)14/h4-5,13-14H,3H2,1-2H3
InChIKeyFHBFRZDPRAEEFM-UHFFFAOYSA-N
XLogP2.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443311
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol?
The IUPAC name of 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol (CID 117341360) is 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol.
What is the SMILES notation for 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol?
The canonical SMILES for 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol is COc1c(O)c(CC(C)O)cc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol?
The InChIKey is FHBFRZDPRAEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3/c1-5(13)3-6-4-7(11)8(12)10(15-2)9(6)14/h4-5,13-14H,3H2,1-2H3.
What are the key properties of 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol?
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol has a molecular weight of 234.65 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol is sourced from PubChem (CID 117341360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).