4-chloro-2-hydroxy-3-methylbenzaldehyde

C8H7ClO2 — CID 88816719

IUPAC4-chloro-2-hydroxy-3-methylbenzaldehyde
SMILESCc1c(Cl)ccc(C=O)c1O
InChIInChI=1S/C8H7ClO2/c1-5-7(9)3-2-6(4-10)8(5)11/h2-4,11H,1H3
InChIKeyCMRAVGACEPRQIK-UHFFFAOYSA-N
MW170.59 g/mol
LogP2.17
Rot. Bonds1

About 4-chloro-2-hydroxy-3-methylbenzaldehyde

4-chloro-2-hydroxy-3-methylbenzaldehyde (PubChem CID 88816719) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-methylbenzaldehyde
PubChem CID88816719
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name4-chloro-2-hydroxy-3-methylbenzaldehyde
SMILESCc1c(Cl)ccc(C=O)c1O
InChIInChI=1S/C8H7ClO2/c1-5-7(9)3-2-6(4-10)8(5)11/h2-4,11H,1H3
InChIKeyCMRAVGACEPRQIK-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 52.17
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 4-chloro-2-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 4-chloro-2-hydroxy-3-methylbenzaldehyde (CID 88816719) is 4-chloro-2-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 4-chloro-2-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 4-chloro-2-hydroxy-3-methylbenzaldehyde is Cc1c(Cl)ccc(C=O)c1O.
What is the InChIKey of 4-chloro-2-hydroxy-3-methylbenzaldehyde?
The InChIKey is CMRAVGACEPRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c1-5-7(9)3-2-6(4-10)8(5)11/h2-4,11H,1H3.
What are the key properties of 4-chloro-2-hydroxy-3-methylbenzaldehyde?
4-chloro-2-hydroxy-3-methylbenzaldehyde has a molecular weight of 170.59 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 88816719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).