5-chloro-2-hydroxy-3-phenylbenzaldehyde

C13H9ClO2 — CID 10955442

IUPAC5-chloro-2-hydroxy-3-phenylbenzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccccc2)c1O
InChIInChI=1S/C13H9ClO2/c14-11-6-10(8-15)13(16)12(7-11)9-4-2-1-3-5-9/h1-8,16H
InChIKeyWLGWZEAAYFHJOI-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-2-hydroxy-3-phenylbenzaldehyde

5-chloro-2-hydroxy-3-phenylbenzaldehyde (PubChem CID 10955442) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-3-phenylbenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-hydroxy-3-phenylbenzaldehyde
PubChem CID10955442
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name5-chloro-2-hydroxy-3-phenylbenzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccccc2)c1O
InChIInChI=1S/C13H9ClO2/c14-11-6-10(8-15)13(16)12(7-11)9-4-2-1-3-5-9/h1-8,16H
InChIKeyWLGWZEAAYFHJOI-UHFFFAOYSA-N
XLogP3.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422
2-(2-phenylphenyl)benzaldehyde
CID 11322869
2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
CID 175399417
3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
5-[12-(3-formyl-4-hydroxy-5-propan-2-ylphenyl)dodecyl]-2-hydroxy-3-phenylbenzaldehyde
CID 11548236
2,3,4-trihydroxy-5-(4-hydroxyphenyl)benzaldehyde
CID 175466940
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
4-bromo-2-(2-phenylphenyl)benzaldehyde
CID 175223605
4-chloro-2-cyclododecyl-6-phenylphenol
CID 157022495
carbon monoxide;chromium;2-phenylbenzaldehyde
CID 11120708
6-chloro-2,3-diphenylphenol
CID 174572078
2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-3-phenylbenzaldehyde?
The IUPAC name of 5-chloro-2-hydroxy-3-phenylbenzaldehyde (CID 10955442) is 5-chloro-2-hydroxy-3-phenylbenzaldehyde.
What is the SMILES notation for 5-chloro-2-hydroxy-3-phenylbenzaldehyde?
The canonical SMILES for 5-chloro-2-hydroxy-3-phenylbenzaldehyde is O=Cc1cc(Cl)cc(-c2ccccc2)c1O.
What is the InChIKey of 5-chloro-2-hydroxy-3-phenylbenzaldehyde?
The InChIKey is WLGWZEAAYFHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-11-6-10(8-15)13(16)12(7-11)9-4-2-1-3-5-9/h1-8,16H.
What are the key properties of 5-chloro-2-hydroxy-3-phenylbenzaldehyde?
5-chloro-2-hydroxy-3-phenylbenzaldehyde has a molecular weight of 232.67 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-3-phenylbenzaldehyde is sourced from PubChem (CID 10955442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).