2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate

C19H22O6 — CID 159897178

IUPAC2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate
SMILESCOC(C)=O.COc1cccc(C(C)(C(=O)O)c2ccc(O)cc2)c1
InChIInChI=1S/C16H16O4.C3H6O2/c1-16(15(18)19,11-6-8-13(17)9-7-11)12-4-3-5-14(10-12)20-2;1-3(4)5-2/h3-10,17H,1-2H3,(H,18,19);1-2H3
InChIKeyNVMLLTCWJUDDTA-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate

2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate (PubChem CID 159897178) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate
PubChem CID159897178
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate
SMILESCOC(C)=O.COc1cccc(C(C)(C(=O)O)c2ccc(O)cc2)c1
InChIInChI=1S/C16H16O4.C3H6O2/c1-16(15(18)19,11-6-8-13(17)9-7-11)12-4-3-5-14(10-12)20-2;1-3(4)5-2/h3-10,17H,1-2H3,(H,18,19);1-2H3
InChIKeyNVMLLTCWJUDDTA-UHFFFAOYSA-N
XLogP2.97
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935
2-(3-methoxyphenyl)-N',2-dimethylpropanehydrazide
CID 116847236
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
2-ethylsulfanyl-2-(3-methoxyphenyl)propanoic acid
CID 114994834
2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 129319861

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate (CID 159897178) is 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate is COC(C)=O.COc1cccc(C(C)(C(=O)O)c2ccc(O)cc2)c1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate?
The InChIKey is NVMLLTCWJUDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4.C3H6O2/c1-16(15(18)19,11-6-8-13(17)9-7-11)12-4-3-5-14(10-12)20-2;1-3(4)5-2/h3-10,17H,1-2H3,(H,18,19);1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate?
2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate has a molecular weight of 346.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate is sourced from PubChem (CID 159897178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).