(1-cyclohexyl-2-hydroxyethyl) benzoate

C15H20O3 — CID 85344980

IUPAC(1-cyclohexyl-2-hydroxyethyl) benzoate
SMILESO=C(OC(CO)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14,16H,1,3-4,7-8,11H2
InChIKeyFQAQDIPCULUIIX-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.78
Rot. Bonds4

About (1-cyclohexyl-2-hydroxyethyl) benzoate

(1-cyclohexyl-2-hydroxyethyl) benzoate (PubChem CID 85344980) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1-cyclohexyl-2-hydroxyethyl) benzoate.

Molecular Properties

Compound Name(1-cyclohexyl-2-hydroxyethyl) benzoate
PubChem CID85344980
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1-cyclohexyl-2-hydroxyethyl) benzoate
SMILESO=C(OC(CO)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14,16H,1,3-4,7-8,11H2
InChIKeyFQAQDIPCULUIIX-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyloxy-3-cyclohexylpropanoic acid
CID 170239924
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
CID 66584128
(2-bromo-2-cyclohexylethyl) benzoate
CID 71513047
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
(2R,3R)-2,3-dibenzoyloxy-4-(cyclohexylamino)-4-oxobutanoic acid
CID 26476592
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
[cyclohexylmethylcarbamoyloxy(phenyl)methyl] benzoate
CID 69175835
[(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethyl] benzoate
CID 59886659
[(2S,3S,4R,5R)-4-benzoyloxy-2-[(1R)-1-benzoyloxy-2-hydroxyethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 90941981
[2-[[(2S)-2-benzoyloxy-2-cyclopropylethoxy]methyl]phenyl]methyl benzoate
CID 67588936

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-hydroxyethyl) benzoate?
The IUPAC name of (1-cyclohexyl-2-hydroxyethyl) benzoate (CID 85344980) is (1-cyclohexyl-2-hydroxyethyl) benzoate.
What is the SMILES notation for (1-cyclohexyl-2-hydroxyethyl) benzoate?
The canonical SMILES for (1-cyclohexyl-2-hydroxyethyl) benzoate is O=C(OC(CO)C1CCCCC1)c1ccccc1.
What is the InChIKey of (1-cyclohexyl-2-hydroxyethyl) benzoate?
The InChIKey is FQAQDIPCULUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14,16H,1,3-4,7-8,11H2.
What are the key properties of (1-cyclohexyl-2-hydroxyethyl) benzoate?
(1-cyclohexyl-2-hydroxyethyl) benzoate has a molecular weight of 248.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-hydroxyethyl) benzoate is sourced from PubChem (CID 85344980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).