7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol

C11H12O — CID 10103432

IUPAC7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
SMILESC=C(C)C1(O)Cc2ccccc21
InChIInChI=1S/C11H12O/c1-8(2)11(12)7-9-5-3-4-6-10(9)11/h3-6,12H,1,7H2,2H3
InChIKeyQEBOFTPKCKWBOP-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.01
Rot. Bonds1

About 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol

7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol (PubChem CID 10103432) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol.

Molecular Properties

Compound Name7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
PubChem CID10103432
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
SMILESC=C(C)C1(O)Cc2ccccc21
InChIInChI=1S/C11H12O/c1-8(2)11(12)7-9-5-3-4-6-10(9)11/h3-6,12H,1,7H2,2H3
InChIKeyQEBOFTPKCKWBOP-UHFFFAOYSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.01
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 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
The IUPAC name of 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol (CID 10103432) is 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol.
What is the SMILES notation for 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
The canonical SMILES for 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol is C=C(C)C1(O)Cc2ccccc21.
What is the InChIKey of 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
The InChIKey is QEBOFTPKCKWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-8(2)11(12)7-9-5-3-4-6-10(9)11/h3-6,12H,1,7H2,2H3.
What are the key properties of 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol?
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol has a molecular weight of 160.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol is sourced from PubChem (CID 10103432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).