2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid

C19H24O2 — CID 134537888

IUPAC2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid
SMILESCC1C(c2ccc(C3CC3)cc2)=C(C(=O)O)CCC1(C)C
InChIInChI=1S/C19H24O2/c1-12-17(16(18(20)21)10-11-19(12,2)3)15-8-6-14(7-9-15)13-4-5-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyHGRIVMIOKDNVSH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.86
Rot. Bonds3

About 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid

2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid (PubChem CID 134537888) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid
PubChem CID134537888
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid
SMILESCC1C(c2ccc(C3CC3)cc2)=C(C(=O)O)CCC1(C)C
InChIInChI=1S/C19H24O2/c1-12-17(16(18(20)21)10-11-19(12,2)3)15-8-6-14(7-9-15)13-4-5-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyHGRIVMIOKDNVSH-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid (CID 134537888) is 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid is CC1C(c2ccc(C3CC3)cc2)=C(C(=O)O)CCC1(C)C.
What is the InChIKey of 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid?
The InChIKey is HGRIVMIOKDNVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-12-17(16(18(20)21)10-11-19(12,2)3)15-8-6-14(7-9-15)13-4-5-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid?
2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-3,4,4-trimethylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 134537888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).