(4-hydroxycyclohexyl) 3-phenylpropanoate

C15H20O3 — CID 132584936

IUPAC(4-hydroxycyclohexyl) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1CCC(O)CC1
InChIInChI=1S/C15H20O3/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2
InChIKeyFHUMTFZNZLXVLH-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.47
Rot. Bonds4

About (4-hydroxycyclohexyl) 3-phenylpropanoate

(4-hydroxycyclohexyl) 3-phenylpropanoate (PubChem CID 132584936) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) 3-phenylpropanoate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) 3-phenylpropanoate
PubChem CID132584936
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4-hydroxycyclohexyl) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1CCC(O)CC1
InChIInChI=1S/C15H20O3/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2
InChIKeyFHUMTFZNZLXVLH-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) 3-phenylpropanoate?
The IUPAC name of (4-hydroxycyclohexyl) 3-phenylpropanoate (CID 132584936) is (4-hydroxycyclohexyl) 3-phenylpropanoate.
What is the SMILES notation for (4-hydroxycyclohexyl) 3-phenylpropanoate?
The canonical SMILES for (4-hydroxycyclohexyl) 3-phenylpropanoate is O=C(CCc1ccccc1)OC1CCC(O)CC1.
What is the InChIKey of (4-hydroxycyclohexyl) 3-phenylpropanoate?
The InChIKey is FHUMTFZNZLXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2.
What are the key properties of (4-hydroxycyclohexyl) 3-phenylpropanoate?
(4-hydroxycyclohexyl) 3-phenylpropanoate has a molecular weight of 248.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) 3-phenylpropanoate is sourced from PubChem (CID 132584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).