4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one

C16H22O3 — CID 64697737

IUPAC4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
SMILESC=CCc1cc(OCC)ccc1OC(C)CC(C)=O
InChIInChI=1S/C16H22O3/c1-5-7-14-11-15(18-6-2)8-9-16(14)19-13(4)10-12(3)17/h5,8-9,11,13H,1,6-7,10H2,2-4H3
InChIKeyJDPUBEZCVOTYOG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.56
Rot. Bonds8

About 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one

4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one (PubChem CID 64697737) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
PubChem CID64697737
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
SMILESC=CCc1cc(OCC)ccc1OC(C)CC(C)=O
InChIInChI=1S/C16H22O3/c1-5-7-14-11-15(18-6-2)8-9-16(14)19-13(4)10-12(3)17/h5,8-9,11,13H,1,6-7,10H2,2-4H3
InChIKeyJDPUBEZCVOTYOG-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
CID 30045988
2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
CID 79356851
N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 63515567
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one?
The IUPAC name of 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one (CID 64697737) is 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one.
What is the SMILES notation for 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one?
The canonical SMILES for 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one is C=CCc1cc(OCC)ccc1OC(C)CC(C)=O.
What is the InChIKey of 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one?
The InChIKey is JDPUBEZCVOTYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-7-14-11-15(18-6-2)8-9-16(14)19-13(4)10-12(3)17/h5,8-9,11,13H,1,6-7,10H2,2-4H3.
What are the key properties of 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one?
4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one is sourced from PubChem (CID 64697737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).