4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde

C10H12O4 — CID 14545007

IUPAC4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(CO)c(OC)cc1C=O
InChIInChI=1S/C10H12O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-5,12H,6H2,1-2H3
InChIKeyZGAUVWIZQBEQKD-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.01
Rot. Bonds4

About 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde

4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde (PubChem CID 14545007) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde
PubChem CID14545007
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(CO)c(OC)cc1C=O
InChIInChI=1S/C10H12O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-5,12H,6H2,1-2H3
InChIKeyZGAUVWIZQBEQKD-UHFFFAOYSA-N
XLogP1.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.01
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

4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
CID 90161973
4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
CID 141409566
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
2,5-dimethoxy-4-(2-methoxyethylsulfanyl)benzaldehyde
CID 44719533
2,2,2-trifluoro-N-[(2R)-1-(4-formyl-2,5-dimethoxyphenyl)propan-2-yl]acetamide
CID 58838534
(2E,6E)-2-[(2,5-dimethoxy-4-methylphenyl)methylidene]-6-[[4-(hydroxymethyl)-2,5-dimethoxyphenyl]methylidene]cyclohexan-1-one
CID 157192811
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde?
The IUPAC name of 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde (CID 14545007) is 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde is COc1cc(CO)c(OC)cc1C=O.
What is the InChIKey of 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde?
The InChIKey is ZGAUVWIZQBEQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-5,12H,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde?
4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde has a molecular weight of 196.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde is sourced from PubChem (CID 14545007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).