5-(2-hydroxypropyl)-2,3-dimethylphenol

C11H16O2 — CID 117278410

IUPAC5-(2-hydroxypropyl)-2,3-dimethylphenol
SMILESCc1cc(CC(C)O)cc(O)c1C
InChIInChI=1S/C11H16O2/c1-7-4-10(5-8(2)12)6-11(13)9(7)3/h4,6,8,12-13H,5H2,1-3H3
InChIKeyDQPXZPGWKAKQEG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds2

About 5-(2-hydroxypropyl)-2,3-dimethylphenol

5-(2-hydroxypropyl)-2,3-dimethylphenol (PubChem CID 117278410) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-2,3-dimethylphenol
PubChem CID117278410
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-(2-hydroxypropyl)-2,3-dimethylphenol
SMILESCc1cc(CC(C)O)cc(O)c1C
InChIInChI=1S/C11H16O2/c1-7-4-10(5-8(2)12)6-11(13)9(7)3/h4,6,8,12-13H,5H2,1-3H3
InChIKeyDQPXZPGWKAKQEG-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
CID 117283284
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
5-[(methoxyamino)methyl]-2,3-dimethylphenol
CID 117278874
2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol
CID 117400955
1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117284494
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
(4S)-1-(3,5-dihydroxy-4-methylphenyl)-4-hydroxypentan-2-one
CID 132600117
4-(3-hydroxy-4,5-dimethylphenyl)butanoic acid
CID 117297452

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-2,3-dimethylphenol?
The IUPAC name of 5-(2-hydroxypropyl)-2,3-dimethylphenol (CID 117278410) is 5-(2-hydroxypropyl)-2,3-dimethylphenol.
What is the SMILES notation for 5-(2-hydroxypropyl)-2,3-dimethylphenol?
The canonical SMILES for 5-(2-hydroxypropyl)-2,3-dimethylphenol is Cc1cc(CC(C)O)cc(O)c1C.
What is the InChIKey of 5-(2-hydroxypropyl)-2,3-dimethylphenol?
The InChIKey is DQPXZPGWKAKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-4-10(5-8(2)12)6-11(13)9(7)3/h4,6,8,12-13H,5H2,1-3H3.
What are the key properties of 5-(2-hydroxypropyl)-2,3-dimethylphenol?
5-(2-hydroxypropyl)-2,3-dimethylphenol has a molecular weight of 180.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-2,3-dimethylphenol is sourced from PubChem (CID 117278410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).