1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol

C12H16O — CID 64987075

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
SMILESCCCC(O)C1Cc2ccccc21
InChIInChI=1S/C12H16O/c1-2-5-12(13)11-8-9-6-3-4-7-10(9)11/h3-4,6-7,11-13H,2,5,8H2,1H3
InChIKeyILMWVXXWWGHSLG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.49
Rot. Bonds3

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

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol (PubChem CID 64987075) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
PubChem CID64987075
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
SMILESCCCC(O)C1Cc2ccccc21
InChIInChI=1S/C12H16O/c1-2-5-12(13)11-8-9-6-3-4-7-10(9)11/h3-4,6-7,11-13H,2,5,8H2,1H3
InChIKeyILMWVXXWWGHSLG-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol (CID 64987075) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol is CCCC(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol?
The InChIKey is ILMWVXXWWGHSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-5-12(13)11-8-9-6-3-4-7-10(9)11/h3-4,6-7,11-13H,2,5,8H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.49, 3 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)butan-1-ol is sourced from PubChem (CID 64987075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).