(3S)-3-phenyl-2,3-dihydrochromen-4-one

C15H12O2 — CID 6928388

IUPAC(3S)-3-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2/t13-/m1/s1
InChIKeyRTRZOHKLISMNRD-CYBMUJFWSA-N
MW224.26 g/mol
LogP3.05
Rot. Bonds1

About (3S)-3-phenyl-2,3-dihydrochromen-4-one

(3S)-3-phenyl-2,3-dihydrochromen-4-one (PubChem CID 6928388) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S)-3-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3S)-3-phenyl-2,3-dihydrochromen-4-one
PubChem CID6928388
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(3S)-3-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2/t13-/m1/s1
InChIKeyRTRZOHKLISMNRD-CYBMUJFWSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 169424704
CID 169424704
3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
CID 59356086
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
(3R)-3-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 124528047
(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
CID 95861308
3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one
CID 14435077
4-oxo-2,3-dihydrochromene-3-carboxylic acid
CID 68674763
3-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57186431
3-cyclopropyl-2,3-dihydrochromen-4-one
CID 69056913
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
CID 22974592
(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
CID 177402596

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (3S)-3-phenyl-2,3-dihydrochromen-4-one (CID 6928388) is (3S)-3-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3S)-3-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (3S)-3-phenyl-2,3-dihydrochromen-4-one is O=C1c2ccccc2OC[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is RTRZOHKLISMNRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2/t13-/m1/s1.
What are the key properties of (3S)-3-phenyl-2,3-dihydrochromen-4-one?
(3S)-3-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 224.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 6928388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).