(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol

C15H15NO2 — CID 11042883

IUPAC(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESN[C@H]1[C@H](O)c2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C15H15NO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9,13-15,17H,16H2/t13-,14+,15+/m0/s1
InChIKeySSMXGNMVPYQPOE-RRFJBIMHSA-N
MW241.29 g/mol
LogP2.18
Rot. Bonds1

About (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol

(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 11042883) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID11042883
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESN[C@H]1[C@H](O)c2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C15H15NO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9,13-15,17H,16H2/t13-,14+,15+/m0/s1
InChIKeySSMXGNMVPYQPOE-RRFJBIMHSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4R)-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 1229687
2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 14250425
(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 15427638
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
(2S,3S,4S)-3-[(4-nitrophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 15427639
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
trimethyl-[[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]oxy]silane
CID 102036867
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
2-phenyl-3,4-dihydro-2H-chromen-3-amine
CID 12822974
sodium 2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 23688231
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
(2R,3S,4R)-6-chloro-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 99864902

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol (CID 11042883) is (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol is N[C@H]1[C@H](O)c2ccccc2O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SSMXGNMVPYQPOE-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H15NO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9,13-15,17H,16H2/t13-,14+,15+/m0/s1.
What are the key properties of (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 241.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 11042883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).