3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol

C10H14O3 — CID 117279140

IUPAC3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
SMILESCc1ccc(CCCO)c(O)c1O
InChIInChI=1S/C10H14O3/c1-7-4-5-8(3-2-6-11)10(13)9(7)12/h4-5,11-13H,2-3,6H2,1H3
InChIKeyHZHBNPQYJDKKGK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.33
Rot. Bonds3

About 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol

3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol (PubChem CID 117279140) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
PubChem CID117279140
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
SMILESCc1ccc(CCCO)c(O)c1O
InChIInChI=1S/C10H14O3/c1-7-4-5-8(3-2-6-11)10(13)9(7)12/h4-5,11-13H,2-3,6H2,1H3
InChIKeyHZHBNPQYJDKKGK-UHFFFAOYSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
CID 117286250
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2,6-dimethyl-3-pentylphenol
CID 22762210
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
2,3-dimethyl-6-octylphenol
CID 141122420
2-(3-hydroxypropyl)-6-(methoxymethyl)phenol
CID 117286238
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
3-[4-(1,1-difluoroethyl)-2-methylphenyl]propan-1-ol
CID 162574703
6-butyl-2-tert-butyl-3-methylphenol
CID 154177519
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol?
The IUPAC name of 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol (CID 117279140) is 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol.
What is the SMILES notation for 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol?
The canonical SMILES for 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol is Cc1ccc(CCCO)c(O)c1O.
What is the InChIKey of 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol?
The InChIKey is HZHBNPQYJDKKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-4-5-8(3-2-6-11)10(13)9(7)12/h4-5,11-13H,2-3,6H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol?
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol is sourced from PubChem (CID 117279140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).