(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one

C15H20O — CID 103454334

IUPAC(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one
SMILESCC/C=C/C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20O/c1-4-5-6-15(16)11-13-7-9-14(10-8-13)12(2)3/h5-10,12H,4,11H2,1-3H3/b6-5+
InChIKeyLPBGSUJCMHJPRL-AATRIKPKSA-N
MW216.32 g/mol
LogP3.89
Rot. Bonds5

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

(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one (PubChem CID 103454334) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one.

Molecular Properties

Compound Name(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one
PubChem CID103454334
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one
SMILESCC/C=C/C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20O/c1-4-5-6-15(16)11-13-7-9-14(10-8-13)12(2)3/h5-10,12H,4,11H2,1-3H3/b6-5+
InChIKeyLPBGSUJCMHJPRL-AATRIKPKSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.89
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-ethylphenyl)hex-3-en-2-one
CID 103454382
3-[3-oxo-4-(4-propan-2-ylphenyl)but-1-enyl]benzoic acid
CID 123573422
(Z)-4-methyl-3-[(4-propan-2-ylphenyl)methyl]pent-2-enoic acid
CID 82086217
1,1-diethoxy-3-(4-propan-2-ylphenyl)propan-2-one
CID 79494965
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288
bis[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-1-enyl] butanedioate
CID 70223360
(E)-4-amino-N-[(4-propan-2-ylphenyl)methyl]but-2-enamide
CID 112746821
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82730236
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one?
The IUPAC name of (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one (CID 103454334) is (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one.
What is the SMILES notation for (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one?
The canonical SMILES for (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one is CC/C=C/C(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one?
The InChIKey is LPBGSUJCMHJPRL-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20O/c1-4-5-6-15(16)11-13-7-9-14(10-8-13)12(2)3/h5-10,12H,4,11H2,1-3H3/b6-5+.
What are the key properties of (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one?
(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one is sourced from PubChem (CID 103454334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).