(E)-1-(4-ethylphenyl)hex-3-en-2-one

C14H18O — CID 103454382

IUPAC(E)-1-(4-ethylphenyl)hex-3-en-2-one
SMILESCC/C=C/C(=O)Cc1ccc(CC)cc1
InChIInChI=1S/C14H18O/c1-3-5-6-14(15)11-13-9-7-12(4-2)8-10-13/h5-10H,3-4,11H2,1-2H3/b6-5+
InChIKeyWWTQINVIBUVMTQ-AATRIKPKSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds5

About (E)-1-(4-ethylphenyl)hex-3-en-2-one

(E)-1-(4-ethylphenyl)hex-3-en-2-one (PubChem CID 103454382) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-1-(4-ethylphenyl)hex-3-en-2-one.

Molecular Properties

Compound Name(E)-1-(4-ethylphenyl)hex-3-en-2-one
PubChem CID103454382
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(E)-1-(4-ethylphenyl)hex-3-en-2-one
SMILESCC/C=C/C(=O)Cc1ccc(CC)cc1
InChIInChI=1S/C14H18O/c1-3-5-6-14(15)11-13-9-7-12(4-2)8-10-13/h5-10H,3-4,11H2,1-2H3/b6-5+
InChIKeyWWTQINVIBUVMTQ-AATRIKPKSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one
CID 103454334
(E)-1-(2-methylphenyl)hex-3-en-2-one
CID 103454249
(E)-1-(2-bromophenyl)hex-3-en-2-one
CID 103454323
1-(4-ethylphenyl)butane-2,3-dione
CID 83697691
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
(E)-1-(3-chloro-2-fluorophenyl)hex-3-en-2-one
CID 103454419
(E)-1-(2-bromo-3-fluorophenyl)hex-3-en-2-one
CID 103454108
1-[4-(4-ethylphenyl)phenyl]butan-2-one
CID 142075756
1,8-bis(4-bromophenyl)octa-3,5-diene-2,7-dione
CID 71405314
(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol
CID 177153555

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethylphenyl)hex-3-en-2-one?
The IUPAC name of (E)-1-(4-ethylphenyl)hex-3-en-2-one (CID 103454382) is (E)-1-(4-ethylphenyl)hex-3-en-2-one.
What is the SMILES notation for (E)-1-(4-ethylphenyl)hex-3-en-2-one?
The canonical SMILES for (E)-1-(4-ethylphenyl)hex-3-en-2-one is CC/C=C/C(=O)Cc1ccc(CC)cc1.
What is the InChIKey of (E)-1-(4-ethylphenyl)hex-3-en-2-one?
The InChIKey is WWTQINVIBUVMTQ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18O/c1-3-5-6-14(15)11-13-9-7-12(4-2)8-10-13/h5-10H,3-4,11H2,1-2H3/b6-5+.
What are the key properties of (E)-1-(4-ethylphenyl)hex-3-en-2-one?
(E)-1-(4-ethylphenyl)hex-3-en-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylphenyl)hex-3-en-2-one is sourced from PubChem (CID 103454382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).