2-hydroxy-4-methoxy-6-methylbenzaldehyde

C9H10O3 — CID 596815

IUPAC2-hydroxy-4-methoxy-6-methylbenzaldehyde
SMILESCOc1cc(C)c(C=O)c(O)c1
InChIInChI=1S/C9H10O3/c1-6-3-7(12-2)4-9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKeyUCWVXCBZZYBRAB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.52
Rot. Bonds2

About 2-hydroxy-4-methoxy-6-methylbenzaldehyde

2-hydroxy-4-methoxy-6-methylbenzaldehyde (PubChem CID 596815) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-6-methylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-6-methylbenzaldehyde
PubChem CID596815
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-hydroxy-4-methoxy-6-methylbenzaldehyde
SMILESCOc1cc(C)c(C=O)c(O)c1
InChIInChI=1S/C9H10O3/c1-6-3-7(12-2)4-9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKeyUCWVXCBZZYBRAB-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methoxy-6-prop-1-en-2-ylbenzaldehyde
CID 176998536
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
CID 176997824
2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
CID 601986
2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487
(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
CID 141315375
2-chloro-5-methoxy-3-methylphenol
CID 144544904
4-ethyl-2-hydroxy-6-methylbenzaldehyde
CID 150151746
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
2-bromo-4,6-dihydroxybenzaldehyde;2-bromo-4,6-dimethoxybenzaldehyde;tribromoborane
CID 157293715
4-hydroxy-2,3,6-trimethylbenzaldehyde
CID 11309702

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-6-methylbenzaldehyde?
The IUPAC name of 2-hydroxy-4-methoxy-6-methylbenzaldehyde (CID 596815) is 2-hydroxy-4-methoxy-6-methylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-methoxy-6-methylbenzaldehyde?
The canonical SMILES for 2-hydroxy-4-methoxy-6-methylbenzaldehyde is COc1cc(C)c(C=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-6-methylbenzaldehyde?
The InChIKey is UCWVXCBZZYBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-3-7(12-2)4-9(11)8(6)5-10/h3-5,11H,1-2H3.
What are the key properties of 2-hydroxy-4-methoxy-6-methylbenzaldehyde?
2-hydroxy-4-methoxy-6-methylbenzaldehyde has a molecular weight of 166.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-6-methylbenzaldehyde is sourced from PubChem (CID 596815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).