4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol

C11H16O4 — CID 67932052

IUPAC4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(C=CCO)CC(OC)=C1O
InChIInChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6,8,12-13H,5,7H2,1-2H3
InChIKeyDDZHELIRKBFZSX-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.50
Rot. Bonds4

About 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol

4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol (PubChem CID 67932052) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol
PubChem CID67932052
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(C=CCO)CC(OC)=C1O
InChIInChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6,8,12-13H,5,7H2,1-2H3
InChIKeyDDZHELIRKBFZSX-UHFFFAOYSA-N
XLogP1.50
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol (CID 67932052) is 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol is COC1=CC(C=CCO)CC(OC)=C1O.
What is the InChIKey of 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol?
The InChIKey is DDZHELIRKBFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6,8,12-13H,5,7H2,1-2H3.
What are the key properties of 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol?
4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol has a molecular weight of 212.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67932052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).