3-chloro-2,4-dihydroxy-6-methylbenzaldehyde

C8H7ClO3 — CID 71334263

IUPAC3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
SMILESCc1cc(O)c(Cl)c(O)c1C=O
InChIInChI=1S/C8H7ClO3/c1-4-2-6(11)7(9)8(12)5(4)3-10/h2-3,11-12H,1H3
InChIKeyVDRNJNUDQVCPLO-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.87
Rot. Bonds1

About 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde

3-chloro-2,4-dihydroxy-6-methylbenzaldehyde (PubChem CID 71334263) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
PubChem CID71334263
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
SMILESCc1cc(O)c(Cl)c(O)c1C=O
InChIInChI=1S/C8H7ClO3/c1-4-2-6(11)7(9)8(12)5(4)3-10/h2-3,11-12H,1H3
InChIKeyVDRNJNUDQVCPLO-UHFFFAOYSA-N
XLogP1.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde?
The IUPAC name of 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde (CID 71334263) is 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde.
What is the SMILES notation for 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde?
The canonical SMILES for 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde is Cc1cc(O)c(Cl)c(O)c1C=O.
What is the InChIKey of 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde?
The InChIKey is VDRNJNUDQVCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-4-2-6(11)7(9)8(12)5(4)3-10/h2-3,11-12H,1H3.
What are the key properties of 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde?
3-chloro-2,4-dihydroxy-6-methylbenzaldehyde has a molecular weight of 186.59 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dihydroxy-6-methylbenzaldehyde is sourced from PubChem (CID 71334263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).