3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid

C17H18O4 — CID 117461801

IUPAC3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(OCc2ccccc2)c1O)C(=O)O
InChIInChI=1S/C17H18O4/c1-12(17(19)20)10-14-8-5-9-15(16(14)18)21-11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyJDBGAOBENCWSMU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.23
Rot. Bonds6

About 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid

3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid (PubChem CID 117461801) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
PubChem CID117461801
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(OCc2ccccc2)c1O)C(=O)O
InChIInChI=1S/C17H18O4/c1-12(17(19)20)10-14-8-5-9-15(16(14)18)21-11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyJDBGAOBENCWSMU-UHFFFAOYSA-N
XLogP3.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxy-3-(2-phenylmethoxyphenyl)propyl]sulfanyl-2-methylpropanoic acid
CID 70387818
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
CID 67924023
(2S)-2-amino-N-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-4-phenylbutanamide
CID 57111343
2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
CID 18705334
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid (CID 117461801) is 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid is CC(Cc1cccc(OCc2ccccc2)c1O)C(=O)O.
What is the InChIKey of 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid?
The InChIKey is JDBGAOBENCWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(17(19)20)10-14-8-5-9-15(16(14)18)21-11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid?
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117461801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).