2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one

C14H16O2 — CID 123773759

IUPAC2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one
SMILESCC=CC(=CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H16O2/c1-4-6-11(5-2)14(15)12-7-9-13(16-3)10-8-12/h4-10H,1-3H3
InChIKeyTVPAEWADWGMUII-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.40
Rot. Bonds4

About 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one

2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one (PubChem CID 123773759) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one.

Molecular Properties

Compound Name2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one
PubChem CID123773759
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one
SMILESCC=CC(=CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H16O2/c1-4-6-11(5-2)14(15)12-7-9-13(16-3)10-8-12/h4-10H,1-3H3
InChIKeyTVPAEWADWGMUII-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2E)-2-ethylidene-1-[4-(4-methoxyphenoxy)phenyl]hex-3-en-1-one
CID 170154328
ethane;(E,2Z)-2-ethylidene-1-(4-methoxyphenyl)-3-methylpent-3-en-1-one
CID 143176753
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one
CID 170154355
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 6295005
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 5186455
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 5284375
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one?
The IUPAC name of 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one (CID 123773759) is 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one.
What is the SMILES notation for 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one?
The canonical SMILES for 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one is CC=CC(=CC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one?
The InChIKey is TVPAEWADWGMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-4-6-11(5-2)14(15)12-7-9-13(16-3)10-8-12/h4-10H,1-3H3.
What are the key properties of 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one?
2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one is sourced from PubChem (CID 123773759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).