5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol

C10H12ClFO3 — CID 117341372

IUPAC5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1C(C)CO
InChIInChI=1S/C10H12ClFO3/c1-5(4-13)8-9(12)6(11)3-7(14)10(8)15-2/h3,5,13-14H,4H2,1-2H3
InChIKeyACPRICWQZKCBAV-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.29
Rot. Bonds3

About 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol

5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol (PubChem CID 117341372) has the molecular formula C10H12ClFO3 and a molecular weight of 234.65 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
PubChem CID117341372
Molecular FormulaC10H12ClFO3
Molecular Weight234.65 g/mol
Exact Mass234.05
IUPAC Name5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1C(C)CO
InChIInChI=1S/C10H12ClFO3/c1-5(4-13)8-9(12)6(11)3-7(14)10(8)15-2/h3,5,13-14H,4H2,1-2H3
InChIKeyACPRICWQZKCBAV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117345751
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol?
The IUPAC name of 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol (CID 117341372) is 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol is COc1c(O)cc(Cl)c(F)c1C(C)CO.
What is the InChIKey of 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol?
The InChIKey is ACPRICWQZKCBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3/c1-5(4-13)8-9(12)6(11)3-7(14)10(8)15-2/h3,5,13-14H,4H2,1-2H3.
What are the key properties of 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol?
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol has a molecular weight of 234.65 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 117341372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).