(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one

C15H18O2 — CID 770257

IUPAC(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H18O2/c16-14(15(17)11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,17H,2,5-6,11-12H2/b10-9+
InChIKeyJYEJZPMATBWLKY-MDZDMXLPSA-N
MW230.31 g/mol
LogP2.96
Rot. Bonds3

About (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one

(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one (PubChem CID 770257) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one
PubChem CID770257
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H18O2/c16-14(15(17)11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,17H,2,5-6,11-12H2/b10-9+
InChIKeyJYEJZPMATBWLKY-MDZDMXLPSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-enylidene]amino]urea
CID 5338692
(E)-1-[(1S,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]-3-phenylprop-2-en-1-one
CID 6933089
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one (CID 770257) is (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one?
The InChIKey is JYEJZPMATBWLKY-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18O2/c16-14(15(17)11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,17H,2,5-6,11-12H2/b10-9+.
What are the key properties of (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one?
(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 770257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).