[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate

C18H18O4 — CID 15421892

IUPAC[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
SMILESCOc1ccc(C(=O)[C@H](Cc2ccccc2)OC(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-13(19)22-17(12-14-6-4-3-5-7-14)18(20)15-8-10-16(21-2)11-9-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyRCFVERMHTRCCSD-KRWDZBQOSA-N
MW298.34 g/mol
LogP3.05
Rot. Bonds6

About [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate

[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate (PubChem CID 15421892) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
PubChem CID15421892
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
SMILESCOc1ccc(C(=O)[C@H](Cc2ccccc2)OC(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-13(19)22-17(12-14-6-4-3-5-7-14)18(20)15-8-10-16(21-2)11-9-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyRCFVERMHTRCCSD-KRWDZBQOSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
CID 139118862
(2R)-3-benzylsulfanyl-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 66559484
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2S)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid;(2R)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 157441521
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate?
The IUPAC name of [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate (CID 15421892) is [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate is COc1ccc(C(=O)[C@H](Cc2ccccc2)OC(C)=O)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate?
The InChIKey is RCFVERMHTRCCSD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)22-17(12-14-6-4-3-5-7-14)18(20)15-8-10-16(21-2)11-9-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate?
[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate is sourced from PubChem (CID 15421892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).