2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid

C14H16O4 — CID 141209185

IUPAC2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(=O)OC2CC2)cc1
InChIInChI=1S/C14H16O4/c1-14(2,13(16)17)10-5-3-9(4-6-10)12(15)18-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,17)
InChIKeyYSEQKHPPMZPKKZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid

2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid (PubChem CID 141209185) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid
PubChem CID141209185
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(=O)OC2CC2)cc1
InChIInChI=1S/C14H16O4/c1-14(2,13(16)17)10-5-3-9(4-6-10)12(15)18-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,17)
InChIKeyYSEQKHPPMZPKKZ-UHFFFAOYSA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid (CID 141209185) is 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(C(=O)OC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid?
The InChIKey is YSEQKHPPMZPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-14(2,13(16)17)10-5-3-9(4-6-10)12(15)18-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid?
2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 141209185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).