1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid

C15H20O3 — CID 117112292

IUPAC1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCC(C)(C)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,10-18-3)11-4-6-12(7-5-11)15(8-9-15)13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyMCZXVGIMJRWOBB-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117112292) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117112292
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCC(C)(C)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,10-18-3)11-4-6-12(7-5-11)15(8-9-15)13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyMCZXVGIMJRWOBB-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628
8-(4-tert-butylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 12595564
1-[4-(3-methoxypropylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912994
1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117410551
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117114286
1-(4-tert-butylphenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906263
1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 90046930
1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557940
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid (CID 117112292) is 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid is COCC(C)(C)c1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MCZXVGIMJRWOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,10-18-3)11-4-6-12(7-5-11)15(8-9-15)13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117112292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).