[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol

C16H14F2O2 — CID 79887800

IUPAC[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCC2Cc3ccccc32)c(F)c1
InChIInChI=1S/C16H14F2O2/c17-14-5-10(8-19)6-15(18)16(14)20-9-12-7-11-3-1-2-4-13(11)12/h1-6,12,19H,7-9H2
InChIKeyQCEYSYKSNWDYAS-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.18
Rot. Bonds4

About [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol

[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol (PubChem CID 79887800) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
PubChem CID79887800
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCC2Cc3ccccc32)c(F)c1
InChIInChI=1S/C16H14F2O2/c17-14-5-10(8-19)6-15(18)16(14)20-9-12-7-11-3-1-2-4-13(11)12/h1-6,12,19H,7-9H2
InChIKeyQCEYSYKSNWDYAS-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol (CID 79887800) is [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(OCC2Cc3ccccc32)c(F)c1.
What is the InChIKey of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol?
The InChIKey is QCEYSYKSNWDYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-14-5-10(8-19)6-15(18)16(14)20-9-12-7-11-3-1-2-4-13(11)12/h1-6,12,19H,7-9H2.
What are the key properties of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol?
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol has a molecular weight of 276.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79887800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).