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

C10H13ClO3 — CID 68794132

IUPAC5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
SMILESCOc1cc(C(C)CO)c(O)cc1Cl
InChIInChI=1S/C10H13ClO3/c1-6(5-12)7-3-10(14-2)8(11)4-9(7)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeyGMFOCTYCENPALT-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.15
Rot. Bonds3

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

5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol (PubChem CID 68794132) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
PubChem CID68794132
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
SMILESCOc1cc(C(C)CO)c(O)cc1Cl
InChIInChI=1S/C10H13ClO3/c1-6(5-12)7-3-10(14-2)8(11)4-9(7)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeyGMFOCTYCENPALT-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

4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
4-hydroxy-5-(1-hydroxypropan-2-yl)-2-methoxybenzonitrile
CID 117295775
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
CID 117300229
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
4-amino-4-(4-chloro-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403327
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641
4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
CID 57480108
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117353545

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol?
The IUPAC name of 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol (CID 68794132) is 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol.
What is the SMILES notation for 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol?
The canonical SMILES for 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol is COc1cc(C(C)CO)c(O)cc1Cl.
What is the InChIKey of 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol?
The InChIKey is GMFOCTYCENPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-6(5-12)7-3-10(14-2)8(11)4-9(7)13/h3-4,6,12-13H,5H2,1-2H3.
What are the key properties of 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol?
5-chloro-2-(1-hydroxypropan-2-yl)-4-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 5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol is sourced from PubChem (CID 68794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).