3-(4-methoxyphenyl)-2-methylpropanoic acid

C11H14O3 — CID 10535804

IUPAC3-(4-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyZLBZKSGFGIEZGQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.96
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-methylpropanoic acid

3-(4-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 10535804) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methylpropanoic acid
PubChem CID10535804
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(4-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyZLBZKSGFGIEZGQ-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
2-[4-[(2S)-2-carboxypropyl]phenoxy]propanedioic acid
CID 71228186
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-[4-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690042
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
CID 144819636
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoic acid
CID 88752303
3-[4-[(methoxyamino)methyl]phenyl]-2-methylpropanoic acid
CID 90304871
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-2-methylpropanoic acid (CID 10535804) is 3-(4-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methylpropanoic acid is COc1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is ZLBZKSGFGIEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 3-(4-methoxyphenyl)-2-methylpropanoic acid?
3-(4-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 10535804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).