2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid

C17H16O6 — CID 90858171

IUPAC2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid
SMILESCOc1cccc(CC(=O)OC(C(=O)O)c2cccc(O)c2)c1
InChIInChI=1S/C17H16O6/c1-22-14-7-2-4-11(8-14)9-15(19)23-16(17(20)21)12-5-3-6-13(18)10-12/h2-8,10,16,18H,9H2,1H3,(H,20,21)
InChIKeyZHMCBKFXZYYCNX-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid

2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid (PubChem CID 90858171) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid
PubChem CID90858171
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid
SMILESCOc1cccc(CC(=O)OC(C(=O)O)c2cccc(O)c2)c1
InChIInChI=1S/C17H16O6/c1-22-14-7-2-4-11(8-14)9-15(19)23-16(17(20)21)12-5-3-6-13(18)10-12/h2-8,10,16,18H,9H2,1H3,(H,20,21)
InChIKeyZHMCBKFXZYYCNX-UHFFFAOYSA-N
XLogP2.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methoxyphenyl)acetate
CID 7840289
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid (CID 90858171) is 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid is COc1cccc(CC(=O)OC(C(=O)O)c2cccc(O)c2)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid?
The InChIKey is ZHMCBKFXZYYCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-22-14-7-2-4-11(8-14)9-15(19)23-16(17(20)21)12-5-3-6-13(18)10-12/h2-8,10,16,18H,9H2,1H3,(H,20,21).
What are the key properties of 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid?
2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid has a molecular weight of 316.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]oxyacetic acid is sourced from PubChem (CID 90858171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).