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

C17H16O2 — CID 66395379

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)C1Cc2ccccc21
InChIInChI=1S/C17H16O2/c18-17(16-8-11-3-1-2-4-15(11)16)12-5-6-13-9-19-10-14(13)7-12/h1-7,16-18H,8-10H2
InChIKeyMXKCPKONAHPEIJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.09
Rot. Bonds2

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

7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 66395379) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID66395379
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)C1Cc2ccccc21
InChIInChI=1S/C17H16O2/c18-17(16-8-11-3-1-2-4-15(11)16)12-5-6-13-9-19-10-14(13)7-12/h1-7,16-18H,8-10H2
InChIKeyMXKCPKONAHPEIJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 66395379) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)COC2)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is MXKCPKONAHPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(16-8-11-3-1-2-4-15(11)16)12-5-6-13-9-19-10-14(13)7-12/h1-7,16-18H,8-10H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 252.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 66395379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).