(E)-4-(4-cyclohexylphenyl)but-3-en-2-one

C16H20O — CID 124662300

IUPAC(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
SMILESCC(=O)/C=C/c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H20O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3/b8-7+
InChIKeyBCHYUFKWUYWVAK-BQYQJAHWSA-N
MW228.34 g/mol
LogP4.34
Rot. Bonds3

About (E)-4-(4-cyclohexylphenyl)but-3-en-2-one

(E)-4-(4-cyclohexylphenyl)but-3-en-2-one (PubChem CID 124662300) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (E)-4-(4-cyclohexylphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
PubChem CID124662300
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
SMILESCC(=O)/C=C/c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H20O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3/b8-7+
InChIKeyBCHYUFKWUYWVAK-BQYQJAHWSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.34
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

1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
benzene-1,2-diamine;ethyl 3-(4-cyclohexylphenyl)prop-2-enoate
CID 174740331
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
(E)-3-(3-chloro-4-methoxyphenyl)-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 6054637
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1472918
(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
CID 23508869
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
(E)-3-(4-pyrrolidin-3-ylphenyl)prop-2-enoic acid
CID 116988470

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-cyclohexylphenyl)but-3-en-2-one?
The IUPAC name of (E)-4-(4-cyclohexylphenyl)but-3-en-2-one (CID 124662300) is (E)-4-(4-cyclohexylphenyl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(4-cyclohexylphenyl)but-3-en-2-one?
The canonical SMILES for (E)-4-(4-cyclohexylphenyl)but-3-en-2-one is CC(=O)/C=C/c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (E)-4-(4-cyclohexylphenyl)but-3-en-2-one?
The InChIKey is BCHYUFKWUYWVAK-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H20O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-4-(4-cyclohexylphenyl)but-3-en-2-one?
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one has a molecular weight of 228.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-cyclohexylphenyl)but-3-en-2-one is sourced from PubChem (CID 124662300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).