methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate

C18H20O4 — CID 134922175

IUPACmethyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(OC)c1ccc(OC)cc1
InChIInChI=1S/C18H20O4/c1-20-15-11-9-14(10-12-15)17(21-2)16(18(19)22-3)13-7-5-4-6-8-13/h4-12,16-17H,1-3H3
InChIKeyQABAOMJSCWXKBW-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.34
Rot. Bonds6

About methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate

methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate (PubChem CID 134922175) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
PubChem CID134922175
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namemethyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(OC)c1ccc(OC)cc1
InChIInChI=1S/C18H20O4/c1-20-15-11-9-14(10-12-15)17(21-2)16(18(19)22-3)13-7-5-4-6-8-13/h4-12,16-17H,1-3H3
InChIKeyQABAOMJSCWXKBW-UHFFFAOYSA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
methyl 3-hydroxy-2-(4-methoxyphenyl)-3-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 138966966
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647
methyl (2R)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10658335
methyl (2R,4S)-4-(4-methoxyphenyl)-2-methyl-4-(N-phenylanilino)butanoate
CID 134852762
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
The IUPAC name of methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate (CID 134922175) is methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
The canonical SMILES for methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate is COC(=O)C(c1ccccc1)C(OC)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
The InChIKey is QABAOMJSCWXKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-20-15-11-9-14(10-12-15)17(21-2)16(18(19)22-3)13-7-5-4-6-8-13/h4-12,16-17H,1-3H3.
What are the key properties of methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate has a molecular weight of 300.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate is sourced from PubChem (CID 134922175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).