1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol

C12H14O — CID 115817464

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)C1Cc2ccccc21
InChIInChI=1S/C12H14O/c1-8(2)12(13)11-7-9-5-3-4-6-10(9)11/h3-6,11-13H,1,7H2,2H3
InChIKeyBVHPPIMCJPBYAX-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.26
Rot. Bonds2

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol (PubChem CID 115817464) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol
PubChem CID115817464
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)C1Cc2ccccc21
InChIInChI=1S/C12H14O/c1-8(2)12(13)11-7-9-5-3-4-6-10(9)11/h3-6,11-13H,1,7H2,2H3
InChIKeyBVHPPIMCJPBYAX-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.26
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol (CID 115817464) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol?
The InChIKey is BVHPPIMCJPBYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8(2)12(13)11-7-9-5-3-4-6-10(9)11/h3-6,11-13H,1,7H2,2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 115817464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).