2-(3-methoxycyclohexyl)propanoic acid

C10H18O3 — CID 79418099

IUPAC2-(3-methoxycyclohexyl)propanoic acid
SMILESCOC1CCCC(C(C)C(=O)O)C1
InChIInChI=1S/C10H18O3/c1-7(10(11)12)8-4-3-5-9(6-8)13-2/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyKGVYDTJHQVHOOJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-methoxycyclohexyl)propanoic acid

2-(3-methoxycyclohexyl)propanoic acid (PubChem CID 79418099) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)propanoic acid
PubChem CID79418099
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(3-methoxycyclohexyl)propanoic acid
SMILESCOC1CCCC(C(C)C(=O)O)C1
InChIInChI=1S/C10H18O3/c1-7(10(11)12)8-4-3-5-9(6-8)13-2/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyKGVYDTJHQVHOOJ-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)propanoic acid?
The IUPAC name of 2-(3-methoxycyclohexyl)propanoic acid (CID 79418099) is 2-(3-methoxycyclohexyl)propanoic acid.
What is the SMILES notation for 2-(3-methoxycyclohexyl)propanoic acid?
The canonical SMILES for 2-(3-methoxycyclohexyl)propanoic acid is COC1CCCC(C(C)C(=O)O)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)propanoic acid?
The InChIKey is KGVYDTJHQVHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(10(11)12)8-4-3-5-9(6-8)13-2/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-methoxycyclohexyl)propanoic acid?
2-(3-methoxycyclohexyl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)propanoic acid is sourced from PubChem (CID 79418099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).