2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde

C10H10O4 — CID 89289969

IUPAC2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
SMILESCOc1cc(CC=O)cc(C=O)c1O
InChIInChI=1S/C10H10O4/c1-14-9-5-7(2-3-11)4-8(6-12)10(9)13/h3-6,13H,2H2,1H3
InChIKeyQROVKWUOBXVSGV-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.95
Rot. Bonds4

About 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde

2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde (PubChem CID 89289969) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
PubChem CID89289969
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
SMILESCOc1cc(CC=O)cc(C=O)c1O
InChIInChI=1S/C10H10O4/c1-14-9-5-7(2-3-11)4-8(6-12)10(9)13/h3-6,13H,2H2,1H3
InChIKeyQROVKWUOBXVSGV-UHFFFAOYSA-N
XLogP0.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016
2-hydroxy-5-[3-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 59599926
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169474143
5-(3-amino-1,2-dihydroxypropyl)-2-hydroxy-3-methoxybenzaldehyde
CID 170828630
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139070161

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde (CID 89289969) is 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde is COc1cc(CC=O)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde?
The InChIKey is QROVKWUOBXVSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-9-5-7(2-3-11)4-8(6-12)10(9)13/h3-6,13H,2H2,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde?
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde has a molecular weight of 194.19 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde is sourced from PubChem (CID 89289969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).