3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid

C19H21ClO3 — CID 83953981

IUPAC3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid
SMILESCCCOc1ccc(Cl)cc1CC(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C19H21ClO3/c1-3-10-23-18-9-8-16(20)11-15(18)12-17(19(21)22)14-6-4-13(2)5-7-14/h4-9,11,17H,3,10,12H2,1-2H3,(H,21,22)
InChIKeyIEPHJSDAVGBFGB-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.85
Rot. Bonds7

About 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid

3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid (PubChem CID 83953981) has the molecular formula C19H21ClO3 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid
PubChem CID83953981
Molecular FormulaC19H21ClO3
Molecular Weight332.83 g/mol
Exact Mass332.12
IUPAC Name3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid
SMILESCCCOc1ccc(Cl)cc1CC(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C19H21ClO3/c1-3-10-23-18-9-8-16(20)11-15(18)12-17(19(21)22)14-6-4-13(2)5-7-14/h4-9,11,17H,3,10,12H2,1-2H3,(H,21,22)
InChIKeyIEPHJSDAVGBFGB-UHFFFAOYSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 112720998
2-(4-methylphenyl)-3-(3-nitro-4-propoxyphenyl)propanoic acid
CID 112720583
2-(4-aminophenyl)-3-(2-propoxyphenyl)propanoic acid
CID 83954423
1-(5-chloro-2-propoxyphenyl)-2-methylheptan-4-one
CID 83933394
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372
4-chloro-2-(2-methylbut-3-ynyl)-1-propoxybenzene
CID 83933419
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid (CID 83953981) is 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid is CCCOc1ccc(Cl)cc1CC(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid?
The InChIKey is IEPHJSDAVGBFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO3/c1-3-10-23-18-9-8-16(20)11-15(18)12-17(19(21)22)14-6-4-13(2)5-7-14/h4-9,11,17H,3,10,12H2,1-2H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid?
3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid has a molecular weight of 332.83 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 83953981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).