6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde

C9H12O3 — CID 150693999

IUPAC6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1=CC(C)(O)C(C=O)C=C1
InChIInChI=1S/C9H12O3/c1-9(11)5-8(12-2)4-3-7(9)6-10/h3-7,11H,1-2H3
InChIKeyJKLZMCNRUSESHS-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.65
Rot. Bonds2

About 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde

6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 150693999) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID150693999
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1=CC(C)(O)C(C=O)C=C1
InChIInChI=1S/C9H12O3/c1-9(11)5-8(12-2)4-3-7(9)6-10/h3-7,11H,1-2H3
InChIKeyJKLZMCNRUSESHS-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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

1,2-Diformylphenol
CID 129772352
4-Methoxy-2-hydroxysalicylaldehyde
CID 129845034
o-Ethoxy salicylaldehyde
CID 152758275
3,5-Difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 89284532
6-Fluoro-6-hydroxy-3-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 150736632
5-Methoxy-2-hydroxysalicylaldehyde
CID 129845048
2-Methoxy-4-methylsalicylaldehyde
CID 129857869
6-Fluoro-4-hydroxy-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 22217433
2-hydroxy-2-(2H-pyran-4-yl)butanal
CID 54483887
1-Hydroxy-4-methoxybenzaldehyde
CID 86651913
ortho-Isopropoxy Salicylaldehyde
CID 87378475
6-Hydroxy-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 87757960

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde (CID 150693999) is 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde is COC1=CC(C)(O)C(C=O)C=C1.
What is the InChIKey of 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is JKLZMCNRUSESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-9(11)5-8(12-2)4-3-7(9)6-10/h3-7,11H,1-2H3.
What are the key properties of 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 168.19 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methoxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 150693999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).