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

C16H14F2O2 — CID 104950320

IUPAC(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1cccc(F)c1F)O2
InChIInChI=1S/C16H14F2O2/c1-9-5-6-14-11(7-9)13(19)8-15(20-14)10-3-2-4-12(17)16(10)18/h2-7,13,15,19H,8H2,1H3/t13-,15?/m1/s1
InChIKeyHFWREHAJNVAJPX-AFYYWNPRSA-N
MW276.28 g/mol
LogP3.83
Rot. Bonds1

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

(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950320) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950320
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1cccc(F)c1F)O2
InChIInChI=1S/C16H14F2O2/c1-9-5-6-14-11(7-9)13(19)8-15(20-14)10-3-2-4-12(17)16(10)18/h2-7,13,15,19H,8H2,1H3/t13-,15?/m1/s1
InChIKeyHFWREHAJNVAJPX-AFYYWNPRSA-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

6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715161
(4R)-2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950366
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
(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
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950334
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 104950320) is (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@H](O)CC(c1cccc(F)c1F)O2.
What is the InChIKey of (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HFWREHAJNVAJPX-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-5-6-14-11(7-9)13(19)8-15(20-14)10-3-2-4-12(17)16(10)18/h2-7,13,15,19H,8H2,1H3/t13-,15?/m1/s1.
What are the key properties of (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2,3-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 (4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).