6-chloro-2,3-dimethoxybenzaldehyde

C9H9ClO3 — CID 19389247

IUPAC6-chloro-2,3-dimethoxybenzaldehyde
SMILESCOc1ccc(Cl)c(C=O)c1OC
InChIInChI=1S/C9H9ClO3/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKeyDSUYRXXQDVYHQC-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.17
Rot. Bonds3

About 6-chloro-2,3-dimethoxybenzaldehyde

6-chloro-2,3-dimethoxybenzaldehyde (PubChem CID 19389247) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 6-chloro-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name6-chloro-2,3-dimethoxybenzaldehyde
PubChem CID19389247
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name6-chloro-2,3-dimethoxybenzaldehyde
SMILESCOc1ccc(Cl)c(C=O)c1OC
InChIInChI=1S/C9H9ClO3/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKeyDSUYRXXQDVYHQC-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde
CID 39234327
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
2,3-dimethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 127263682
1-chloro-4-methoxynaphthalene
CID 606038
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
3-chloro-8-methoxyisoquinoline-4-carbaldehyde
CID 131699932

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethoxybenzaldehyde?
The IUPAC name of 6-chloro-2,3-dimethoxybenzaldehyde (CID 19389247) is 6-chloro-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 6-chloro-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 6-chloro-2,3-dimethoxybenzaldehyde is COc1ccc(Cl)c(C=O)c1OC.
What is the InChIKey of 6-chloro-2,3-dimethoxybenzaldehyde?
The InChIKey is DSUYRXXQDVYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-5H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethoxybenzaldehyde?
6-chloro-2,3-dimethoxybenzaldehyde has a molecular weight of 200.62 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 19389247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).