(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one

C16H14O2 — CID 12753183

IUPAC(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C16H14O2/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-11,16H,1H3/t11-,16+/m0/s1
InChIKeyKGDHGMYUWLSCKC-MEDUHNTESA-N
MW238.29 g/mol
LogP3.64
Rot. Bonds1

About (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one

(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 12753183) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID12753183
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C16H14O2/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-11,16H,1H3/t11-,16+/m0/s1
InChIKeyKGDHGMYUWLSCKC-MEDUHNTESA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
CID 7212963
(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 14595238
(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
CID 23941129
3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
CID 134106831
2-ethenyl-3-methyl-2,3-dihydrochromen-4-one
CID 11008672
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
methyl 3-methyl-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 135026819
2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
CID 56607953
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 174476724

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one (CID 12753183) is (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one is C[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is KGDHGMYUWLSCKC-MEDUHNTESA-N. The full InChI is InChI=1S/C16H14O2/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-11,16H,1H3/t11-,16+/m0/s1.
What are the key properties of (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one?
(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 238.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12753183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).