3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde

C9H9ClO3 — CID 105453179

IUPAC3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
SMILESCOc1c(O)cc(C=O)c(C)c1Cl
InChIInChI=1S/C9H9ClO3/c1-5-6(4-11)3-7(12)9(13-2)8(5)10/h3-4,12H,1-2H3
InChIKeyGNWHOEHDXJMJOR-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.18
Rot. Bonds2

About 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde

3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde (PubChem CID 105453179) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
PubChem CID105453179
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
SMILESCOc1c(O)cc(C=O)c(C)c1Cl
InChIInChI=1S/C9H9ClO3/c1-5-6(4-11)3-7(12)9(13-2)8(5)10/h3-4,12H,1-2H3
InChIKeyGNWHOEHDXJMJOR-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
3-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)butanal
CID 117358740
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde
CID 89007750
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde
CID 13464714
4-hydroxy-3-methoxy-5-methyl-2-nitrobenzaldehyde
CID 145018495
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde?
The IUPAC name of 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde (CID 105453179) is 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde.
What is the SMILES notation for 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde?
The canonical SMILES for 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde is COc1c(O)cc(C=O)c(C)c1Cl.
What is the InChIKey of 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde?
The InChIKey is GNWHOEHDXJMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-6(4-11)3-7(12)9(13-2)8(5)10/h3-4,12H,1-2H3.
What are the key properties of 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde?
3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde has a molecular weight of 200.62 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde is sourced from PubChem (CID 105453179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).