2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid

C18H26O3 — CID 117065678

IUPAC2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid
SMILESCC1CCCCC1(C)c1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H26O3/c1-13-7-5-6-12-18(13,4)14-8-10-15(11-9-14)21-17(2,3)16(19)20/h8-11,13H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyUCQJMCDNHILKLI-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.40
Rot. Bonds4

About 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid

2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid (PubChem CID 117065678) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid
PubChem CID117065678
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid
SMILESCC1CCCCC1(C)c1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H26O3/c1-13-7-5-6-12-18(13,4)14-8-10-15(11-9-14)21-17(2,3)16(19)20/h8-11,13H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyUCQJMCDNHILKLI-UHFFFAOYSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid (CID 117065678) is 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid is CC1CCCCC1(C)c1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid?
The InChIKey is UCQJMCDNHILKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-13-7-5-6-12-18(13,4)14-8-10-15(11-9-14)21-17(2,3)16(19)20/h8-11,13H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid?
2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dimethylcyclohexyl)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 117065678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).