3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol

C11H15ClO3 — CID 171861982

IUPAC3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol
SMILESOCCc1ccccc1C(O)C(O)CCl
InChIInChI=1S/C11H15ClO3/c12-7-10(14)11(15)9-4-2-1-3-8(9)5-6-13/h1-4,10-11,13-15H,5-7H2
InChIKeyJAINUADOHZLBQL-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.85
Rot. Bonds5

About 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol

3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol (PubChem CID 171861982) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol
PubChem CID171861982
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol
SMILESOCCc1ccccc1C(O)C(O)CCl
InChIInChI=1S/C11H15ClO3/c12-7-10(14)11(15)9-4-2-1-3-8(9)5-6-13/h1-4,10-11,13-15H,5-7H2
InChIKeyJAINUADOHZLBQL-UHFFFAOYSA-N
XLogP0.85
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[2-(2-hydroxyethyl)phenyl]butane-1,2-diol
CID 171893748
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248
3-chloro-1-[2-(methylsulfonylmethyl)phenyl]propane-1,2-diol
CID 171862580
3-chloro-1-(2-methylphenyl)propane-1,2-diol
CID 171861461
ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
CID 171866052
2-(3-chloro-1,2-dihydroxypropyl)benzonitrile
CID 171861777
3-chloro-1-[2-(dimethoxymethyl)phenyl]propane-1,2-diol
CID 171862593
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895
1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol
CID 168636319
3-chloro-1-(3-chloro-2-hydroxyphenyl)propane-1,2-diol
CID 171863335
N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
CID 170830393
1-[2-(2-aminoethyl)phenyl]-4-bromobutane-1,2-diol
CID 171892067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol (CID 171861982) is 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol is OCCc1ccccc1C(O)C(O)CCl.
What is the InChIKey of 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol?
The InChIKey is JAINUADOHZLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c12-7-10(14)11(15)9-4-2-1-3-8(9)5-6-13/h1-4,10-11,13-15H,5-7H2.
What are the key properties of 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol?
3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol has a molecular weight of 230.69 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 171861982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).