3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde

C9H9ClO4 — CID 12652203

IUPAC3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(O)c(C=O)c(OC)c1Cl
InChIInChI=1S/C9H9ClO4/c1-13-7-3-6(12)5(4-11)9(14-2)8(7)10/h3-4,12H,1-2H3
InChIKeySMPVSJALCSYNPT-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.88
Rot. Bonds3

About 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde

3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde (PubChem CID 12652203) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
PubChem CID12652203
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(O)c(C=O)c(OC)c1Cl
InChIInChI=1S/C9H9ClO4/c1-13-7-3-6(12)5(4-11)9(14-2)8(7)10/h3-4,12H,1-2H3
InChIKeySMPVSJALCSYNPT-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
CID 84795051
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde?
The IUPAC name of 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde (CID 12652203) is 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde.
What is the SMILES notation for 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde?
The canonical SMILES for 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde is COc1cc(O)c(C=O)c(OC)c1Cl.
What is the InChIKey of 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde?
The InChIKey is SMPVSJALCSYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-13-7-3-6(12)5(4-11)9(14-2)8(7)10/h3-4,12H,1-2H3.
What are the key properties of 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde?
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde has a molecular weight of 216.62 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde is sourced from PubChem (CID 12652203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).