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

C20H24O4 — CID 83954492

IUPAC3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCCCCOc1ccccc1CC(C(=O)O)c1ccccc1OC
InChIInChI=1S/C20H24O4/c1-3-4-13-24-18-11-7-5-9-15(18)14-17(20(21)22)16-10-6-8-12-19(16)23-2/h5-12,17H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyUQZGKXOQQZDHKM-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds9

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

3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 83954492) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
PubChem CID83954492
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCCCCOc1ccccc1CC(C(=O)O)c1ccccc1OC
InChIInChI=1S/C20H24O4/c1-3-4-13-24-18-11-7-5-9-15(18)14-17(20(21)22)16-10-6-8-12-19(16)23-2/h5-12,17H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyUQZGKXOQQZDHKM-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
3-(2-butoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83954499
3-(2-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83954608
3-(2-butoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83954502
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
2-(4-aminophenyl)-3-(2-propoxyphenyl)propanoic acid
CID 83954423
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
2-(3-fluoro-4-methylphenyl)-3-(2-pentoxyphenyl)propanoic acid
CID 83954603

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid (CID 83954492) is 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid is CCCCOc1ccccc1CC(C(=O)O)c1ccccc1OC.
What is the InChIKey of 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is UQZGKXOQQZDHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-3-4-13-24-18-11-7-5-9-15(18)14-17(20(21)22)16-10-6-8-12-19(16)23-2/h5-12,17H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid?
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83954492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).