3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol

C9H11ClO3 — CID 117291165

IUPAC3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
SMILESCC(O)Cc1ccc(Cl)c(O)c1O
InChIInChI=1S/C9H11ClO3/c1-5(11)4-6-2-3-7(10)9(13)8(6)12/h2-3,5,11-13H,4H2,1H3
InChIKeyHWVJIBFVCWUNAQ-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.67
Rot. Bonds2

About 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol

3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol (PubChem CID 117291165) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
PubChem CID117291165
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
SMILESCC(O)Cc1ccc(Cl)c(O)c1O
InChIInChI=1S/C9H11ClO3/c1-5(11)4-6-2-3-7(10)9(13)8(6)12/h2-3,5,11-13H,4H2,1H3
InChIKeyHWVJIBFVCWUNAQ-UHFFFAOYSA-N
XLogP1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.67
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

3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115
1-(2-chloro-3-methylphenyl)propan-2-ol
CID 117279944
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
4-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278408
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol?
The IUPAC name of 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol (CID 117291165) is 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol.
What is the SMILES notation for 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol?
The canonical SMILES for 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol is CC(O)Cc1ccc(Cl)c(O)c1O.
What is the InChIKey of 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol?
The InChIKey is HWVJIBFVCWUNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c1-5(11)4-6-2-3-7(10)9(13)8(6)12/h2-3,5,11-13H,4H2,1H3.
What are the key properties of 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol?
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol has a molecular weight of 202.64 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol is sourced from PubChem (CID 117291165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).