2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde

C14H11ClO3 — CID 153327847

IUPAC2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde
SMILESO=CC(O)(c1ccccc1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H11ClO3/c15-11-6-7-12(13(17)8-11)14(18,9-16)10-4-2-1-3-5-10/h1-9,17-18H
InChIKeyAEHFJJAWPLCJEB-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde

2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde (PubChem CID 153327847) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde
PubChem CID153327847
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde
SMILESO=CC(O)(c1ccccc1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H11ClO3/c15-11-6-7-12(13(17)8-11)14(18,9-16)10-4-2-1-3-5-10/h1-9,17-18H
InChIKeyAEHFJJAWPLCJEB-UHFFFAOYSA-N
XLogP2.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid
CID 139999915
4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
CID 13076854
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
3-(4-tert-butyl-2-hydroxyphenyl)-2,3-dihydroxy-3-phenylpropanal
CID 88978981
2-tert-butyl-5-chlorophenol;titanium;dihydrochloride
CID 174423474
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol
CID 71593142
2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde
CID 88601459
(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
CID 142176021
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
1-chloro-4-tritylbenzene
CID 14737307

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde?
The IUPAC name of 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde (CID 153327847) is 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde.
What is the SMILES notation for 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde?
The canonical SMILES for 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde is O=CC(O)(c1ccccc1)c1ccc(Cl)cc1O.
What is the InChIKey of 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde?
The InChIKey is AEHFJJAWPLCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-11-6-7-12(13(17)8-11)14(18,9-16)10-4-2-1-3-5-10/h1-9,17-18H.
What are the key properties of 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde?
2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde has a molecular weight of 262.69 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-phenylacetaldehyde is sourced from PubChem (CID 153327847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).