(2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one

C18H16O3 — CID 16726170

IUPAC(2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one
SMILESC/C(=C\c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1O
InChIInChI=1S/C18H16O3/c1-12(11-13-7-3-2-4-8-13)18-17(20)16(19)14-9-5-6-10-15(14)21-18/h2-11,17-18,20H,1H3/b12-11+/t17-,18+/m0/s1
InChIKeyZBFZCCREZNEIEN-AAIOHFERSA-N
MW280.32 g/mol
LogP3.09
Rot. Bonds2

About (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one

(2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one (PubChem CID 16726170) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one
PubChem CID16726170
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one
SMILESC/C(=C\c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1O
InChIInChI=1S/C18H16O3/c1-12(11-13-7-3-2-4-8-13)18-17(20)16(19)14-9-5-6-10-15(14)21-18/h2-11,17-18,20H,1H3/b12-11+/t17-,18+/m0/s1
InChIKeyZBFZCCREZNEIEN-AAIOHFERSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
(2S,3R)-3-bromo-2-methyl-2,3-dihydrochromen-4-one
CID 15266075
3-benzoyl-2-methyl-2,3-dihydrochromen-4-one
CID 3420665
methyl 3-methyl-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 135026819
(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane
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(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
3-benzylidene-1-benzofuran-2-ol
CID 67805873
2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one
CID 5271519
4-[(2R,3R)-3-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 10635397
propan-2-yl (2S,3R)-3-[(E)-1-phenylprop-1-en-2-yl]oxirane-2-carboxylate
CID 102157745
(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
CID 2094031
3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
CID 6106311

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one (CID 16726170) is (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one is C/C(=C\c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1O.
What is the InChIKey of (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one?
The InChIKey is ZBFZCCREZNEIEN-AAIOHFERSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(11-13-7-3-2-4-8-13)18-17(20)16(19)14-9-5-6-10-15(14)21-18/h2-11,17-18,20H,1H3/b12-11+/t17-,18+/m0/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one?
(2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one has a molecular weight of 280.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 16726170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).