(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C16H14F2O2 — CID 104950561

IUPAC(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC(c1cc(F)ccc1F)O2
InChIInChI=1S/C16H14F2O2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-7-10(17)3-4-13(11)18/h2-7,14,16,19H,8H2,1H3/t14-,16?/m0/s1
InChIKeyJDUUCHXMNHEREU-LBAUFKAWSA-N
MW276.28 g/mol
LogP3.83
Rot. Bonds1

About (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950561) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950561
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC(c1cc(F)ccc1F)O2
InChIInChI=1S/C16H14F2O2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-7-10(17)3-4-13(11)18/h2-7,14,16,19H,8H2,1H3/t14-,16?/m0/s1
InChIKeyJDUUCHXMNHEREU-LBAUFKAWSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950320
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714166
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948253

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 104950561) is (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@@H](O)CC(c1cc(F)ccc1F)O2.
What is the InChIKey of (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JDUUCHXMNHEREU-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-7-10(17)3-4-13(11)18/h2-7,14,16,19H,8H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.28 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).