3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid

C16H16O5 — CID 117243386

IUPAC3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(COc2ccccc2O)C(=O)O)c1
InChIInChI=1S/C16H16O5/c1-20-12-6-4-5-11(9-12)13(16(18)19)10-21-15-8-3-2-7-14(15)17/h2-9,13,17H,10H2,1H3,(H,18,19)
InChIKeyBFZKYTSPIYMDTH-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.65
Rot. Bonds6

About 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid

3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid (PubChem CID 117243386) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
PubChem CID117243386
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(COc2ccccc2O)C(=O)O)c1
InChIInChI=1S/C16H16O5/c1-20-12-6-4-5-11(9-12)13(16(18)19)10-21-15-8-3-2-7-14(15)17/h2-9,13,17H,10H2,1H3,(H,18,19)
InChIKeyBFZKYTSPIYMDTH-UHFFFAOYSA-N
XLogP2.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243377
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid (CID 117243386) is 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid is COc1cccc(C(COc2ccccc2O)C(=O)O)c1.
What is the InChIKey of 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is BFZKYTSPIYMDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-20-12-6-4-5-11(9-12)13(16(18)19)10-21-15-8-3-2-7-14(15)17/h2-9,13,17H,10H2,1H3,(H,18,19).
What are the key properties of 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid?
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117243386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).