1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid

C11H12O3 — CID 88598145

IUPAC1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILES[2H]C([2H])Oc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)/i1D2
InChIKeyWCPFQQHADRJANG-DICFDUPASA-N
MW194.23 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid

1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 88598145) has the molecular formula C11H12O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID88598145
Molecular FormulaC11H12O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILES[2H]C([2H])Oc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)/i1D2
InChIKeyWCPFQQHADRJANG-DICFDUPASA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(dideuteriomethoxy)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-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117317655
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-[4-(2-amino-4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039271
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 172554828
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117453560
1-(4-methylsulfonyloxyphenyl)cyclohexane-1-carboxylic acid
CID 117480882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid (CID 88598145) is 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid is [2H]C([2H])Oc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is WCPFQQHADRJANG-DICFDUPASA-N. The full InChI is InChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)/i1D2.
What are the key properties of 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 88598145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).