2-(3-propan-2-yloxyphenyl)propanoic acid

C12H16O3 — CID 67024169

IUPAC2-(3-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-11-6-4-5-10(7-11)9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChIKeyLYAMYMJYDDWUPH-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-propan-2-yloxyphenyl)propanoic acid

2-(3-propan-2-yloxyphenyl)propanoic acid (PubChem CID 67024169) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-propan-2-yloxyphenyl)propanoic acid
PubChem CID67024169
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(3-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-11-6-4-5-10(7-11)9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChIKeyLYAMYMJYDDWUPH-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-prop-2-enoyloxyphenyl)propanoic acid
CID 142749581
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
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(1S)-1-(3-propan-2-yloxyphenyl)ethanol
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2-(3-prop-2-enoxyphenyl)propanoic acid
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2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246
2,2-difluoro-3-hydroxy-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 62397851
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
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2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(3-propan-2-yloxyphenyl)propanoic acid (CID 67024169) is 2-(3-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1cccc(C(C)C(=O)O)c1.
What is the InChIKey of 2-(3-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is LYAMYMJYDDWUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)15-11-6-4-5-10(7-11)9(3)12(13)14/h4-9H,1-3H3,(H,13,14).
What are the key properties of 2-(3-propan-2-yloxyphenyl)propanoic acid?
2-(3-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 67024169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).