[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol

C16H13FO2 — CID 118343515

IUPAC[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol
SMILESOCc1ccc2c(c1)C(c1ccc(F)cc1)=CCO2
InChIInChI=1S/C16H13FO2/c17-13-4-2-12(3-5-13)14-7-8-19-16-6-1-11(10-18)9-15(14)16/h1-7,9,18H,8,10H2
InChIKeyUPHBJPGXMPEAAY-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.14
Rot. Bonds2

About [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol

[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol (PubChem CID 118343515) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol
PubChem CID118343515
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol
SMILESOCc1ccc2c(c1)C(c1ccc(F)cc1)=CCO2
InChIInChI=1S/C16H13FO2/c17-13-4-2-12(3-5-13)14-7-8-19-16-6-1-11(10-18)9-15(14)16/h1-7,9,18H,8,10H2
InChIKeyUPHBJPGXMPEAAY-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol (CID 118343515) is [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol is OCc1ccc2c(c1)C(c1ccc(F)cc1)=CCO2.
What is the InChIKey of [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol?
The InChIKey is UPHBJPGXMPEAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c17-13-4-2-12(3-5-13)14-7-8-19-16-6-1-11(10-18)9-15(14)16/h1-7,9,18H,8,10H2.
What are the key properties of [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol?
[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol has a molecular weight of 256.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2H-chromen-6-yl]methanol is sourced from PubChem (CID 118343515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).