(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol

C15H13FO2 — CID 104951796

IUPAC(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccccc2)Oc2cc(F)ccc21
InChIInChI=1S/C15H13FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,13-14,17H,9H2/t13-,14?/m0/s1
InChIKeyPBSIEPAOVYDMTK-LSLKUGRBSA-N
MW244.27 g/mol
LogP3.38
Rot. Bonds1

About (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol

(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951796) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951796
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccccc2)Oc2cc(F)ccc21
InChIInChI=1S/C15H13FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,13-14,17H,9H2/t13-,14?/m0/s1
InChIKeyPBSIEPAOVYDMTK-LSLKUGRBSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol (CID 104951796) is (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2ccccc2)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PBSIEPAOVYDMTK-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H13FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,13-14,17H,9H2/t13-,14?/m0/s1.
What are the key properties of (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 244.27 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).