3-chloro-2,6-dimethoxybenzaldehyde

C9H9ClO3 — CID 15414486

IUPAC3-chloro-2,6-dimethoxybenzaldehyde
SMILESCOc1ccc(Cl)c(OC)c1C=O
InChIInChI=1S/C9H9ClO3/c1-12-8-4-3-7(10)9(13-2)6(8)5-11/h3-5H,1-2H3
InChIKeyFMYBNVNGYYJAGH-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.17
Rot. Bonds3

About 3-chloro-2,6-dimethoxybenzaldehyde

3-chloro-2,6-dimethoxybenzaldehyde (PubChem CID 15414486) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 3-chloro-2,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-2,6-dimethoxybenzaldehyde
PubChem CID15414486
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name3-chloro-2,6-dimethoxybenzaldehyde
SMILESCOc1ccc(Cl)c(OC)c1C=O
InChIInChI=1S/C9H9ClO3/c1-12-8-4-3-7(10)9(13-2)6(8)5-11/h3-5H,1-2H3
InChIKeyFMYBNVNGYYJAGH-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

6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde
CID 39234327
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
CID 145071221
7-methoxyisoquinoline-8-carbaldehyde
CID 82573729
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
5-methoxy-1-methylindazole-4-carbaldehyde
CID 84662481
sodium 3-chloro-2,6-dimethoxybenzenesulfinate
CID 165454400
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethoxybenzaldehyde?
The IUPAC name of 3-chloro-2,6-dimethoxybenzaldehyde (CID 15414486) is 3-chloro-2,6-dimethoxybenzaldehyde.
What is the SMILES notation for 3-chloro-2,6-dimethoxybenzaldehyde?
The canonical SMILES for 3-chloro-2,6-dimethoxybenzaldehyde is COc1ccc(Cl)c(OC)c1C=O.
What is the InChIKey of 3-chloro-2,6-dimethoxybenzaldehyde?
The InChIKey is FMYBNVNGYYJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-12-8-4-3-7(10)9(13-2)6(8)5-11/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethoxybenzaldehyde?
3-chloro-2,6-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 3-chloro-2,6-dimethoxybenzaldehyde is sourced from PubChem (CID 15414486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).