2-(3-chloro-2-hydroxyphenyl)acetaldehyde

C8H7ClO2 — CID 87370378

IUPAC2-(3-chloro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cccc(Cl)c1O
InChIInChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-5-10)8(7)11/h1-3,5,11H,4H2
InChIKeyVVKCWWLMQBHMCB-UHFFFAOYSA-N
MW170.59 g/mol
LogP1.79
Rot. Bonds2

About 2-(3-chloro-2-hydroxyphenyl)acetaldehyde

2-(3-chloro-2-hydroxyphenyl)acetaldehyde (PubChem CID 87370378) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxyphenyl)acetaldehyde
PubChem CID87370378
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name2-(3-chloro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cccc(Cl)c1O
InChIInChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-5-10)8(7)11/h1-3,5,11H,4H2
InChIKeyVVKCWWLMQBHMCB-UHFFFAOYSA-N
XLogP1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-chloro-2-hydroxyphenyl)acetaldehyde (CID 87370378) is 2-(3-chloro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-chloro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-chloro-2-hydroxyphenyl)acetaldehyde is O=CCc1cccc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is VVKCWWLMQBHMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-5-10)8(7)11/h1-3,5,11H,4H2.
What are the key properties of 2-(3-chloro-2-hydroxyphenyl)acetaldehyde?
2-(3-chloro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 170.59 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 87370378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).