(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C15H12ClFO2 — CID 104948273

IUPAC(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccccc2Cl)Oc2ccc(F)cc21
InChIInChI=1S/C15H12ClFO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-7,13,15,18H,8H2/t13-,15?/m1/s1
InChIKeyJBYLXXHKQMOJPT-AFYYWNPRSA-N
MW278.71 g/mol
LogP4.04
Rot. Bonds1

About (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948273) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948273
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccccc2Cl)Oc2ccc(F)cc21
InChIInChI=1S/C15H12ClFO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-7,13,15,18H,8H2/t13-,15?/m1/s1
InChIKeyJBYLXXHKQMOJPT-AFYYWNPRSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948265
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104948273) is (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2ccccc2Cl)Oc2ccc(F)cc21.
What is the InChIKey of (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JBYLXXHKQMOJPT-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-7,13,15,18H,8H2/t13-,15?/m1/s1.
What are the key properties of (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 278.71 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).