3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol

C9H8O — CID 18965787

IUPAC3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol
SMILESOCc1ccc2c(c1)C=C2
InChIInChI=1S/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-5,10H,6H2
InChIKeyCUVVWDAHRRSSII-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.66
Rot. Bonds1

About 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol

3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol (PubChem CID 18965787) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol.

Molecular Properties

Compound Name3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol
PubChem CID18965787
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol
SMILESOCc1ccc2c(c1)C=C2
InChIInChI=1S/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-5,10H,6H2
InChIKeyCUVVWDAHRRSSII-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol?
The IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol (CID 18965787) is 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol.
What is the SMILES notation for 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol?
The canonical SMILES for 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol is OCc1ccc2c(c1)C=C2.
What is the InChIKey of 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol?
The InChIKey is CUVVWDAHRRSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-5,10H,6H2.
What are the key properties of 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol?
3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol has a molecular weight of 132.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol is sourced from PubChem (CID 18965787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).