5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid

C19H22O3 — CID 82136641

IUPAC5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
SMILESCc1cccc(OCCCC(C(=O)O)c2ccccc2C)c1
InChIInChI=1S/C19H22O3/c1-14-7-5-9-16(13-14)22-12-6-11-18(19(20)21)17-10-4-3-8-15(17)2/h3-5,7-10,13,18H,6,11-12H2,1-2H3,(H,20,21)
InChIKeyTZAABNGQLCSDJE-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.33
Rot. Bonds7

About 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid

5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid (PubChem CID 82136641) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
PubChem CID82136641
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
SMILESCc1cccc(OCCCC(C(=O)O)c2ccccc2C)c1
InChIInChI=1S/C19H22O3/c1-14-7-5-9-16(13-14)22-12-6-11-18(19(20)21)17-10-4-3-8-15(17)2/h3-5,7-10,13,18H,6,11-12H2,1-2H3,(H,20,21)
InChIKeyTZAABNGQLCSDJE-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
CID 82136581
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
2-(2-methylphenyl)hexanedioic acid
CID 135381848
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
6-(3-methylphenoxy)-2-(2-methylphenyl)hexanenitrile
CID 82137305
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
2-[3-(3-methylphenoxy)propylsulfonyl]propanoic acid
CID 82180795
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
3-[3-(3-methylphenoxy)propylsulfanyl]butanoic acid
CID 66138507
3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241497

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid?
The IUPAC name of 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid (CID 82136641) is 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid.
What is the SMILES notation for 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid?
The canonical SMILES for 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid is Cc1cccc(OCCCC(C(=O)O)c2ccccc2C)c1.
What is the InChIKey of 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid?
The InChIKey is TZAABNGQLCSDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-14-7-5-9-16(13-14)22-12-6-11-18(19(20)21)17-10-4-3-8-15(17)2/h3-5,7-10,13,18H,6,11-12H2,1-2H3,(H,20,21).
What are the key properties of 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid?
5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid is sourced from PubChem (CID 82136641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).