2-hydroxy-3-methoxybenzaldehyde;methane

C9H12O3 — CID 165075137

IUPAC2-hydroxy-3-methoxybenzaldehyde;methane
SMILESC.COc1cccc(C=O)c1O
InChIInChI=1S/C8H8O3.CH4/c1-11-7-4-2-3-6(5-9)8(7)10;/h2-5,10H,1H3;1H4
InChIKeyUEIIVVSERDNQTJ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.85
Rot. Bonds2

About 2-hydroxy-3-methoxybenzaldehyde;methane

2-hydroxy-3-methoxybenzaldehyde;methane (PubChem CID 165075137) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-hydroxy-3-methoxybenzaldehyde;methane.

Molecular Properties

Compound Name2-hydroxy-3-methoxybenzaldehyde;methane
PubChem CID165075137
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-hydroxy-3-methoxybenzaldehyde;methane
SMILESC.COc1cccc(C=O)c1O
InChIInChI=1S/C8H8O3.CH4/c1-11-7-4-2-3-6(5-9)8(7)10;/h2-5,10H,1H3;1H4
InChIKeyUEIIVVSERDNQTJ-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.85
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-3-methoxybenzaldehyde
CID 8991
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
CID 19867153
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
CID 175442040
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-hydroxy-3-(2-methylphenoxy)benzaldehyde
CID 13066661
S-(2-formyl-6-methoxyphenyl) ethanethioate
CID 91264360
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxybenzaldehyde;methane?
The IUPAC name of 2-hydroxy-3-methoxybenzaldehyde;methane (CID 165075137) is 2-hydroxy-3-methoxybenzaldehyde;methane.
What is the SMILES notation for 2-hydroxy-3-methoxybenzaldehyde;methane?
The canonical SMILES for 2-hydroxy-3-methoxybenzaldehyde;methane is C.COc1cccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxybenzaldehyde;methane?
The InChIKey is UEIIVVSERDNQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.CH4/c1-11-7-4-2-3-6(5-9)8(7)10;/h2-5,10H,1H3;1H4.
What are the key properties of 2-hydroxy-3-methoxybenzaldehyde;methane?
2-hydroxy-3-methoxybenzaldehyde;methane has a molecular weight of 168.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxybenzaldehyde;methane is sourced from PubChem (CID 165075137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).