3-hydroxy-4-methoxybenzaldehyde

C16H16O6 — CID 87256894

IUPAC3-hydroxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1O.COc1ccc(C=O)cc1O
InChIInChI=1S/2C8H8O3/c2*1-11-8-3-2-6(5-9)4-7(8)10/h2*2-5,10H,1H3
InChIKeyCGXPXJMCDHVUOA-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.43
Rot. Bonds4

About 3-hydroxy-4-methoxybenzaldehyde

3-hydroxy-4-methoxybenzaldehyde (PubChem CID 87256894) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-methoxybenzaldehyde
PubChem CID87256894
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name3-hydroxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1O.COc1ccc(C=O)cc1O
InChIInChI=1S/2C8H8O3/c2*1-11-8-3-2-6(5-9)4-7(8)10/h2*2-5,10H,1H3
InChIKeyCGXPXJMCDHVUOA-UHFFFAOYSA-N
XLogP2.43
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
3-hydroxy-4-methoxybenzaldehyde;4-nitrobenzaldehyde
CID 87894032
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
CID 130345281
CID 130345281
(2E,3Z)-2,3-bis[(3-hydroxy-4-methoxyphenyl)methylidene]butanedial
CID 177405847
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
5-methanimidoyl-2-methoxyphenol
CID 23221891
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
CID 167405011
CID 167405011
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 3-hydroxy-4-methoxybenzaldehyde (CID 87256894) is 3-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 3-hydroxy-4-methoxybenzaldehyde is COc1ccc(C=O)cc1O.COc1ccc(C=O)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxybenzaldehyde?
The InChIKey is CGXPXJMCDHVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O3/c2*1-11-8-3-2-6(5-9)4-7(8)10/h2*2-5,10H,1H3.
What are the key properties of 3-hydroxy-4-methoxybenzaldehyde?
3-hydroxy-4-methoxybenzaldehyde has a molecular weight of 304.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 87256894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).