(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one

C20H20O3 — CID 101394052

IUPAC(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one
SMILESCC[C@H]1C(=O)OC(c2ccc(OC)cc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O3/c1-3-17-18(14-7-5-4-6-8-14)13-19(23-20(17)21)15-9-11-16(22-2)12-10-15/h4-13,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKeyUJGDCUMAZMKJOY-QZTJIDSGSA-N
MW308.38 g/mol
LogP4.40
Rot. Bonds4

About (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one

(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one (PubChem CID 101394052) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one
PubChem CID101394052
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one
SMILESCC[C@H]1C(=O)OC(c2ccc(OC)cc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O3/c1-3-17-18(14-7-5-4-6-8-14)13-19(23-20(17)21)15-9-11-16(22-2)12-10-15/h4-13,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKeyUJGDCUMAZMKJOY-QZTJIDSGSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-ethyl-4-(4-methoxyphenyl)-6-phenyl-3,4-dihydropyran-2-one
CID 102386205
(3S,4S)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-6-phenyl-3,4-dihydropyran-2-one
CID 102194616
(3S,4S)-3-[(4-methoxyphenyl)methyl]-4-phenyl-6-(trichloromethyl)-3,4-dihydropyran-2-one
CID 122214418
(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one
CID 102210008
(3S,4S)-3-benzyl-4-(4-methoxyphenyl)-6-(trichloromethyl)-3,4-dihydropyran-2-one
CID 122214413
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
CID 15140152
2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
CID 74947618
CID 134852077
CID 134852077
6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
CID 54555837
7-methoxy-2,4-diphenyl-4H-chromene
CID 10380919

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one?
The IUPAC name of (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one (CID 101394052) is (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one.
What is the SMILES notation for (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one?
The canonical SMILES for (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one is CC[C@H]1C(=O)OC(c2ccc(OC)cc2)=C[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one?
The InChIKey is UJGDCUMAZMKJOY-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-17-18(14-7-5-4-6-8-14)13-19(23-20(17)21)15-9-11-16(22-2)12-10-15/h4-13,17-18H,3H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one?
(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one has a molecular weight of 308.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 101394052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).