1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid

C15H18O4 — CID 12719789

IUPAC1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid
SMILESCC(C)(C)c1ccc(C2(C(=O)O)CC2C(=O)O)cc1
InChIInChI=1S/C15H18O4/c1-14(2,3)9-4-6-10(7-5-9)15(13(18)19)8-11(15)12(16)17/h4-7,11H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLPPRXKQZZVHXBG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid

1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 12719789) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID12719789
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid
SMILESCC(C)(C)c1ccc(C2(C(=O)O)CC2C(=O)O)cc1
InChIInChI=1S/C15H18O4/c1-14(2,3)9-4-6-10(7-5-9)15(13(18)19)8-11(15)12(16)17/h4-7,11H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLPPRXKQZZVHXBG-UHFFFAOYSA-N
XLogP2.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid (CID 12719789) is 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid is CC(C)(C)c1ccc(C2(C(=O)O)CC2C(=O)O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is LPPRXKQZZVHXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(2,3)9-4-6-10(7-5-9)15(13(18)19)8-11(15)12(16)17/h4-7,11H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid?
1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 12719789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).