7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol

C19H16O — CID 64987016

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
SMILESOC(c1ccc2ccccc2c1)C1Cc2ccccc21
InChIInChI=1S/C19H16O/c20-19(18-12-15-7-3-4-8-17(15)18)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18-20H,12H2
InChIKeyLQVJBEQJLMCUDQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.21
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol (PubChem CID 64987016) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
PubChem CID64987016
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
SMILESOC(c1ccc2ccccc2c1)C1Cc2ccccc21
InChIInChI=1S/C19H16O/c20-19(18-12-15-7-3-4-8-17(15)18)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18-20H,12H2
InChIKeyLQVJBEQJLMCUDQ-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol (CID 64987016) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol is OC(c1ccc2ccccc2c1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol?
The InChIKey is LQVJBEQJLMCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c20-19(18-12-15-7-3-4-8-17(15)18)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18-20H,12H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol has a molecular weight of 260.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol is sourced from PubChem (CID 64987016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).