3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid

C20H28O2 — CID 117484278

IUPAC3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid
SMILESCC1(C)CCCC(c2ccc(C(CC(=O)O)C3CC3)cc2)C1
InChIInChI=1S/C20H28O2/c1-20(2)11-3-4-17(13-20)14-5-7-15(8-6-14)18(12-19(21)22)16-9-10-16/h5-8,16-18H,3-4,9-13H2,1-2H3,(H,21,22)
InChIKeySQVLALPPDQTBSN-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.34
Rot. Bonds5

About 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid

3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid (PubChem CID 117484278) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid
PubChem CID117484278
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid
SMILESCC1(C)CCCC(c2ccc(C(CC(=O)O)C3CC3)cc2)C1
InChIInChI=1S/C20H28O2/c1-20(2)11-3-4-17(13-20)14-5-7-15(8-6-14)18(12-19(21)22)16-9-10-16/h5-8,16-18H,3-4,9-13H2,1-2H3,(H,21,22)
InChIKeySQVLALPPDQTBSN-UHFFFAOYSA-N
XLogP5.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic 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

3-cyclopropyl-3-[4-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484279
2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368882
3-[4-(3,3-dimethylcyclohexyl)phenyl]butanal
CID 117399936
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117107780
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-[4-(3,3-dimethylcyclohexyl)phenyl]propanal
CID 117363267
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
CID 117397294
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid (CID 117484278) is 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid is CC1(C)CCCC(c2ccc(C(CC(=O)O)C3CC3)cc2)C1.
What is the InChIKey of 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid?
The InChIKey is SQVLALPPDQTBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-20(2)11-3-4-17(13-20)14-5-7-15(8-6-14)18(12-19(21)22)16-9-10-16/h5-8,16-18H,3-4,9-13H2,1-2H3,(H,21,22).
What are the key properties of 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid?
3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid has a molecular weight of 300.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid is sourced from PubChem (CID 117484278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).