3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid

C17H18O5 — CID 83955509

IUPAC3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2cccc(O)c2)cc1OC
InChIInChI=1S/C17H18O5/c1-21-15-7-6-11(9-16(15)22-2)8-14(17(19)20)12-4-3-5-13(18)10-12/h3-7,9-10,14,18H,8H2,1-2H3,(H,19,20)
InChIKeyVYEGBLUIHLFBOE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.82
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid

3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 83955509) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
PubChem CID83955509
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2cccc(O)c2)cc1OC
InChIInChI=1S/C17H18O5/c1-21-15-7-6-11(9-16(15)22-2)8-14(17(19)20)12-4-3-5-13(18)10-12/h3-7,9-10,14,18H,8H2,1-2H3,(H,19,20)
InChIKeyVYEGBLUIHLFBOE-UHFFFAOYSA-N
XLogP2.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-(3-bromo-4-methoxyphenyl)-2-(3-methylphenyl)propanoic acid
CID 79431801
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid (CID 83955509) is 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2cccc(O)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is VYEGBLUIHLFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-15-7-6-11(9-16(15)22-2)8-14(17(19)20)12-4-3-5-13(18)10-12/h3-7,9-10,14,18H,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid?
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83955509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).