1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde

C8H10O3 — CID 86651913

IUPAC1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1=CCC(O)(C=O)C=C1
InChIInChI=1S/C8H10O3/c1-11-7-2-4-8(10,6-9)5-3-7/h2-4,6,10H,5H2,1H3
InChIKeyPVGBHKSTDOZEGY-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds2

About 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde

1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 86651913) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
PubChem CID86651913
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1=CCC(O)(C=O)C=C1
InChIInChI=1S/C8H10O3/c1-11-7-2-4-8(10,6-9)5-3-7/h2-4,6,10H,5H2,1H3
InChIKeyPVGBHKSTDOZEGY-UHFFFAOYSA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.41
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

p-Dimethoxybenzaldehyde
CID 20571334
1-Hydroxybenzaldehyde
CID 22625631
Metadimethoxybenzaldehyd
CID 129721822
4-Methoxy-2-hydroxysalicylaldehyde
CID 129845034
p-Dihydroxy benzaldehyde
CID 141275836
6-Fluoro-6-hydroxy-3-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 150736632
5-Methoxy-2-hydroxysalicylaldehyde
CID 129845048
2-Methyl-4-methoxy salicylaldehyde
CID 150693999
1,4-Dipropoxybenzaldehyde
CID 20571333
1,4-Diisopropoxybenzaldehyde
CID 20571336
2-hydroxy-2-(2H-pyran-4-yl)butanal
CID 54483887
1-(1-Hydroxy-3-methoxycyclohexa-2,4-dien-1-yl)ethanone
CID 70053653

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde (CID 86651913) is 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde is COC1=CCC(O)(C=O)C=C1.
What is the InChIKey of 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is PVGBHKSTDOZEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-11-7-2-4-8(10,6-9)5-3-7/h2-4,6,10H,5H2,1H3.
What are the key properties of 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 86651913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).