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

C15H18O2 — CID 102524149

IUPAC(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/OC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H18O2/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
InChIKeyXWBVYZIMIXIITO-VAWYXSNFSA-N
MW230.31 g/mol
LogP3.73
Rot. Bonds4

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

(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one (PubChem CID 102524149) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one
PubChem CID102524149
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/OC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H18O2/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
InChIKeyXWBVYZIMIXIITO-VAWYXSNFSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyloxyethenylbenzene
CID 67017506
3-cyclopropyl-1-phenylprop-2-en-1-one
CID 74377261
cyclohexyl benzenecarboperoxoate
CID 154097275
4-dicyclohexylphosphanyl-1-phenylbut-2-en-1-one tetrafluoroborate
CID 175273557
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 15866325
aniline;cyclohexyl formate
CID 160794609
2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene]-1-phenylethanone
CID 59995843
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
CID 6186115
(2Z)-2-[(3Z,4aR,8aS)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone
CID 6478617
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one (CID 102524149) is (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one is O=C(/C=C/OC1CCCCC1)c1ccccc1.
What is the InChIKey of (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one?
The InChIKey is XWBVYZIMIXIITO-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H18O2/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+.
What are the key properties of (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one?
(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one is sourced from PubChem (CID 102524149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).