1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one

C14H16O3 — CID 157467206

IUPAC1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C14H16O3/c1-2-13(15)11-6-8-12(9-7-11)17-14-5-3-4-10-16-14/h2,6-9,14H,1,3-5,10H2
InChIKeyZDYZKZCXBWUUME-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one

1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one (PubChem CID 157467206) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
PubChem CID157467206
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C14H16O3/c1-2-13(15)11-6-8-12(9-7-11)17-14-5-3-4-10-16-14/h2,6-9,14H,1,3-5,10H2
InChIKeyZDYZKZCXBWUUME-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(oxan-2-yloxy)benzoic acid
CID 11183645
N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide
CID 143844107
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
CID 143834486
CID 143834486
1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223486

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
The IUPAC name of 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one (CID 157467206) is 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one is C=CC(=O)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
The InChIKey is ZDYZKZCXBWUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-13(15)11-6-8-12(9-7-11)17-14-5-3-4-10-16-14/h2,6-9,14H,1,3-5,10H2.
What are the key properties of 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 157467206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).