(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

C16H13F3O2 — CID 104950149

IUPAC(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc(C(F)(F)F)cc2)Oc2ccccc21
InChIInChI=1S/C16H13F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-8,13,15,20H,9H2/t13-,15?/m1/s1
InChIKeyAVWIQXSIAKPXAG-AFYYWNPRSA-N
MW294.27 g/mol
LogP4.26
Rot. Bonds1

About (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950149) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950149
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc(C(F)(F)F)cc2)Oc2ccccc21
InChIInChI=1S/C16H13F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-8,13,15,20H,9H2/t13-,15?/m1/s1
InChIKeyAVWIQXSIAKPXAG-AFYYWNPRSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950213
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (CID 104950149) is (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2ccc(C(F)(F)F)cc2)Oc2ccccc21.
What is the InChIKey of (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AVWIQXSIAKPXAG-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-8,13,15,20H,9H2/t13-,15?/m1/s1.
What are the key properties of (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 294.27 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).