2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde

C18H20O6 — CID 161122515

IUPAC2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
SMILESCOc1ccc(OC)c(C=O)c1.COc1cccc(C=O)c1OC
InChIInChI=1S/2C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10;1-11-8-5-3-4-7(6-10)9(8)12-2/h2*3-6H,1-2H3
InChIKeyULDCYABAQQCMSQ-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.03
Rot. Bonds6

About 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde

2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde (PubChem CID 161122515) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
PubChem CID161122515
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
SMILESCOc1ccc(OC)c(C=O)c1.COc1cccc(C=O)c1OC
InChIInChI=1S/2C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10;1-11-8-5-3-4-7(6-10)9(8)12-2/h2*3-6H,1-2H3
InChIKeyULDCYABAQQCMSQ-UHFFFAOYSA-N
XLogP3.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
(2-formyl-6-methoxyphenoxy)-oxido-oxophosphanium
CID 162540271
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde?
The IUPAC name of 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde (CID 161122515) is 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde?
The canonical SMILES for 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde is COc1ccc(OC)c(C=O)c1.COc1cccc(C=O)c1OC.
What is the InChIKey of 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde?
The InChIKey is ULDCYABAQQCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10;1-11-8-5-3-4-7(6-10)9(8)12-2/h2*3-6H,1-2H3.
What are the key properties of 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde?
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde has a molecular weight of 332.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde is sourced from PubChem (CID 161122515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).