2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

C15H20O2 — CID 83712978

IUPAC2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C2(C(=O)O)CC2(C)C)cc1
InChIInChI=1S/C15H20O2/c1-10(2)11-5-7-12(8-6-11)15(13(16)17)9-14(15,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyLAUVDSFGRYQWCH-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds3

About 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 83712978) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID83712978
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C2(C(=O)O)CC2(C)C)cc1
InChIInChI=1S/C15H20O2/c1-10(2)11-5-7-12(8-6-11)15(13(16)17)9-14(15,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyLAUVDSFGRYQWCH-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (CID 83712978) is 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is CC(C)c1ccc(C2(C(=O)O)CC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is LAUVDSFGRYQWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)11-5-7-12(8-6-11)15(13(16)17)9-14(15,3)4/h5-8,10H,9H2,1-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83712978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).