2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid

C19H22O4 — CID 82095275

IUPAC2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cccc(C(Cc2cccc(OC(C)C)c2)C(=O)O)c1
InChIInChI=1S/C19H22O4/c1-13(2)23-17-9-4-6-14(10-17)11-18(19(20)21)15-7-5-8-16(12-15)22-3/h4-10,12-13,18H,11H2,1-3H3,(H,20,21)
InChIKeyJGQYEJTUXUEJGA-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.89
Rot. Bonds7

About 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid

2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid (PubChem CID 82095275) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
PubChem CID82095275
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cccc(C(Cc2cccc(OC(C)C)c2)C(=O)O)c1
InChIInChI=1S/C19H22O4/c1-13(2)23-17-9-4-6-14(10-17)11-18(19(20)21)15-7-5-8-16(12-15)22-3/h4-10,12-13,18H,11H2,1-3H3,(H,20,21)
InChIKeyJGQYEJTUXUEJGA-UHFFFAOYSA-N
XLogP3.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
2-(4-methoxy-3-methylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952179
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid (CID 82095275) is 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid is COc1cccc(C(Cc2cccc(OC(C)C)c2)C(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is JGQYEJTUXUEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-13(2)23-17-9-4-6-14(10-17)11-18(19(20)21)15-7-5-8-16(12-15)22-3/h4-10,12-13,18H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 82095275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).