3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol

C10H13ClO3 — CID 117308708

IUPAC3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
SMILESCOc1c(Cl)ccc(C(C)CO)c1O
InChIInChI=1S/C10H13ClO3/c1-6(5-12)7-3-4-8(11)10(14-2)9(7)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeySFNPKERHRBFMLB-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.15
Rot. Bonds3

About 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol

3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol (PubChem CID 117308708) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
PubChem CID117308708
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
SMILESCOc1c(Cl)ccc(C(C)CO)c1O
InChIInChI=1S/C10H13ClO3/c1-6(5-12)7-3-4-8(11)10(14-2)9(7)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeySFNPKERHRBFMLB-UHFFFAOYSA-N
XLogP2.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 117363911
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
CID 117379900

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol?
The IUPAC name of 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol (CID 117308708) is 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol?
The canonical SMILES for 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol is COc1c(Cl)ccc(C(C)CO)c1O.
What is the InChIKey of 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol?
The InChIKey is SFNPKERHRBFMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-6(5-12)7-3-4-8(11)10(14-2)9(7)13/h3-4,6,12-13H,5H2,1-2H3.
What are the key properties of 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol?
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol has a molecular weight of 216.66 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 117308708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).