1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol

C11H16O — CID 68896861

IUPAC1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol
SMILESC=CCC1(C(C)O)C=CC=CC1
InChIInChI=1S/C11H16O/c1-3-7-11(10(2)12)8-5-4-6-9-11/h3-6,8,10,12H,1,7,9H2,2H3
InChIKeyGBLOFCUCAHHHNB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol

1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 68896861) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID68896861
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol
SMILESC=CCC1(C(C)O)C=CC=CC1
InChIInChI=1S/C11H16O/c1-3-7-11(10(2)12)8-5-4-6-9-11/h3-6,8,10,12H,1,7,9H2,2H3
InChIKeyGBLOFCUCAHHHNB-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol (CID 68896861) is 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol is C=CCC1(C(C)O)C=CC=CC1.
What is the InChIKey of 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is GBLOFCUCAHHHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-7-11(10(2)12)8-5-4-6-9-11/h3-6,8,10,12H,1,7,9H2,2H3.
What are the key properties of 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol?
1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 164.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 68896861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).