[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol

C26H19FO2 — CID 69314165

IUPAC[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol
SMILESOCc1cc2ccccc2c2c1OC(c1ccccc1)(c1ccccc1F)C=C2
InChIInChI=1S/C26H19FO2/c27-24-13-7-6-12-23(24)26(20-9-2-1-3-10-20)15-14-22-21-11-5-4-8-18(21)16-19(17-28)25(22)29-26/h1-16,28H,17H2
InChIKeyIITLIHSJLDQEMW-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.82
Rot. Bonds3

About [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol

[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol (PubChem CID 69314165) has the molecular formula C26H19FO2 and a molecular weight of 382.43 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol
PubChem CID69314165
Molecular FormulaC26H19FO2
Molecular Weight382.43 g/mol
Exact Mass382.14
IUPAC Name[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol
SMILESOCc1cc2ccccc2c2c1OC(c1ccccc1)(c1ccccc1F)C=C2
InChIInChI=1S/C26H19FO2/c27-24-13-7-6-12-23(24)26(20-9-2-1-3-10-20)15-14-22-21-11-5-4-8-18(21)16-19(17-28)25(22)29-26/h1-16,28H,17H2
InChIKeyIITLIHSJLDQEMW-UHFFFAOYSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol?
The IUPAC name of [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol (CID 69314165) is [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol.
What is the SMILES notation for [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol?
The canonical SMILES for [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol is OCc1cc2ccccc2c2c1OC(c1ccccc1)(c1ccccc1F)C=C2.
What is the InChIKey of [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol?
The InChIKey is IITLIHSJLDQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FO2/c27-24-13-7-6-12-23(24)26(20-9-2-1-3-10-20)15-14-22-21-11-5-4-8-18(21)16-19(17-28)25(22)29-26/h1-16,28H,17H2.
What are the key properties of [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol?
[3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol has a molecular weight of 382.43 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-3-phenylbenzo[f]chromen-5-yl]methanol is sourced from PubChem (CID 69314165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).