3-cyclohexyloxy-2-phenylpropanoic acid

C15H20O3 — CID 63075152

IUPAC3-cyclohexyloxy-2-phenylpropanoic acid
SMILESO=C(O)C(COC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,16,17)
InChIKeyRTWUHYNMNYALLW-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.20
Rot. Bonds5

About 3-cyclohexyloxy-2-phenylpropanoic acid

3-cyclohexyloxy-2-phenylpropanoic acid (PubChem CID 63075152) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-cyclohexyloxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-cyclohexyloxy-2-phenylpropanoic acid
PubChem CID63075152
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-cyclohexyloxy-2-phenylpropanoic acid
SMILESO=C(O)C(COC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,16,17)
InChIKeyRTWUHYNMNYALLW-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
CID 119737692
dicyclohexyl 2-phenylpropanedioate
CID 130210180
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
2-[(2-cyclohexyloxyacetyl)amino]-2-phenylacetamide
CID 56814062
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 170745120
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-2-phenylpropanoic acid?
The IUPAC name of 3-cyclohexyloxy-2-phenylpropanoic acid (CID 63075152) is 3-cyclohexyloxy-2-phenylpropanoic acid.
What is the SMILES notation for 3-cyclohexyloxy-2-phenylpropanoic acid?
The canonical SMILES for 3-cyclohexyloxy-2-phenylpropanoic acid is O=C(O)C(COC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexyloxy-2-phenylpropanoic acid?
The InChIKey is RTWUHYNMNYALLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,16,17).
What are the key properties of 3-cyclohexyloxy-2-phenylpropanoic acid?
3-cyclohexyloxy-2-phenylpropanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-2-phenylpropanoic acid is sourced from PubChem (CID 63075152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).