2-(4-methylphenoxy)propanoic acid

C10H12O3 — CID 3643626

IUPAC2-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C10H12O3/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChIKeyBTQZPXFENISXER-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-methylphenoxy)propanoic acid

2-(4-methylphenoxy)propanoic acid (PubChem CID 3643626) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-methylphenoxy)propanoic acid
PubChem CID3643626
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C10H12O3/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChIKeyBTQZPXFENISXER-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mecoprop
CID 7153
Mephenesin
CID 4059
Phenoxyacetic Acid
CID 19188
4-Methylphenyl acetate
CID 8797
Cresyl glycidyl ether
CID 16606
2-(4-Methoxyphenoxy)propanoic acid
CID 151199
Cinoxate
CID 5373773
Mecoprop-P
CID 185588
Anisyl propionate
CID 61417
p-Cresyl isovalerate
CID 62092
Ethyl (p-tolyloxy)acetate
CID 4047281
(2,6-Dimethylphenoxy)acetic acid
CID 101369

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)propanoic acid?
The IUPAC name of 2-(4-methylphenoxy)propanoic acid (CID 3643626) is 2-(4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-methylphenoxy)propanoic acid is Cc1ccc(OC(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)propanoic acid?
The InChIKey is BTQZPXFENISXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12).
What are the key properties of 2-(4-methylphenoxy)propanoic acid?
2-(4-methylphenoxy)propanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)propanoic acid is sourced from PubChem (CID 3643626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).