(Z)-1-(4-methylphenyl)pent-2-en-1-one

C12H14O — CID 11672749

IUPAC(Z)-1-(4-methylphenyl)pent-2-en-1-one
SMILESCC/C=C\C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h4-9H,3H2,1-2H3/b5-4-
InChIKeyRYVUHDVTDBWYBX-PLNGDYQASA-N
MW174.24 g/mol
LogP3.14
Rot. Bonds3

About (Z)-1-(4-methylphenyl)pent-2-en-1-one

(Z)-1-(4-methylphenyl)pent-2-en-1-one (PubChem CID 11672749) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (Z)-1-(4-methylphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methylphenyl)pent-2-en-1-one
PubChem CID11672749
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(Z)-1-(4-methylphenyl)pent-2-en-1-one
SMILESCC/C=C\C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h4-9H,3H2,1-2H3/b5-4-
InChIKeyRYVUHDVTDBWYBX-PLNGDYQASA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.14
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-fluorophenyl)pent-2-en-1-one
CID 19551234
(Z)-1-phenylpent-2-en-1-one
CID 91998885
1-(4-ethenylphenyl)pent-2-en-1-one
CID 173330480
triethyl-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]azanium chloride
CID 15193812
(E)-1-(4-methylphenyl)-5-phenylpent-2-en-1-one
CID 162644983
(E)-1-(4-methylphenyl)-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 5370790
[3-(4-methylphenyl)-3-oxoprop-1-enyl]-tripropylazanium
CID 2775391
(E)-4-(4-methylphenyl)-4-oxobut-2-enenitrile
CID 15563567
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(2E,4E,6E)-7-ethoxy-1,7-bis(4-methylphenyl)hepta-2,4,6-trien-1-one
CID 142144913
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
(E)-1-(3-fluoro-4-methoxyphenyl)pent-2-en-1-one
CID 103454138

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylphenyl)pent-2-en-1-one?
The IUPAC name of (Z)-1-(4-methylphenyl)pent-2-en-1-one (CID 11672749) is (Z)-1-(4-methylphenyl)pent-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-methylphenyl)pent-2-en-1-one?
The canonical SMILES for (Z)-1-(4-methylphenyl)pent-2-en-1-one is CC/C=C\C(=O)c1ccc(C)cc1.
What is the InChIKey of (Z)-1-(4-methylphenyl)pent-2-en-1-one?
The InChIKey is RYVUHDVTDBWYBX-PLNGDYQASA-N. The full InChI is InChI=1S/C12H14O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h4-9H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-(4-methylphenyl)pent-2-en-1-one?
(Z)-1-(4-methylphenyl)pent-2-en-1-one has a molecular weight of 174.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylphenyl)pent-2-en-1-one is sourced from PubChem (CID 11672749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).