2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde

C16H16O5 — CID 22633129

IUPAC2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2c(OC)cccc2OC)cc1O
InChIInChI=1S/C16H16O5/c1-19-13-5-4-6-14(20-2)16(13)11-8-12(18)15(21-3)7-10(11)9-17/h4-9,18H,1-3H3
InChIKeyBOEAXZSHFHLYOO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.90
Rot. Bonds5

About 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde

2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde (PubChem CID 22633129) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
PubChem CID22633129
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2c(OC)cccc2OC)cc1O
InChIInChI=1S/C16H16O5/c1-19-13-5-4-6-14(20-2)16(13)11-8-12(18)15(21-3)7-10(11)9-17/h4-9,18H,1-3H3
InChIKeyBOEAXZSHFHLYOO-UHFFFAOYSA-N
XLogP2.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 15501148
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633197
4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 22633292
5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
CID 16768819
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde (CID 22633129) is 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(-c2c(OC)cccc2OC)cc1O.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde?
The InChIKey is BOEAXZSHFHLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-13-5-4-6-14(20-2)16(13)11-8-12(18)15(21-3)7-10(11)9-17/h4-9,18H,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde?
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde has a molecular weight of 288.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 22633129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).