(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one

C18H18O2 — CID 159020856

IUPAC(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one
SMILESC/C(=C\c1ccc(O)cc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H18O2/c1-13-3-5-16(6-4-13)12-18(20)14(2)11-15-7-9-17(19)10-8-15/h3-11,19H,12H2,1-2H3/b14-11+
InChIKeyJTRFVTLOWZNJCY-SDNWHVSQSA-N
MW266.34 g/mol
LogP3.92
Rot. Bonds4

About (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one

(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one (PubChem CID 159020856) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one
PubChem CID159020856
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one
SMILESC/C(=C\c1ccc(O)cc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H18O2/c1-13-3-5-16(6-4-13)12-18(20)14(2)11-15-7-9-17(19)10-8-15/h3-11,19H,12H2,1-2H3/b14-11+
InChIKeyJTRFVTLOWZNJCY-SDNWHVSQSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
CID 118606325
(Z)-3-(bromomethyl)-4-(4-methylphenyl)but-3-en-2-one
CID 10923040
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
benzene;3-(4-hydroxyphenyl)-2-oxopropanoic acid
CID 175418924
4-methylphenol
CID 70549076
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
ethane;methyl 3-(4-methylphenyl)-2-oxopropanoate
CID 123299139

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one?
The IUPAC name of (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one (CID 159020856) is (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one?
The canonical SMILES for (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one is C/C(=C\c1ccc(O)cc1)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one?
The InChIKey is JTRFVTLOWZNJCY-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-3-5-16(6-4-13)12-18(20)14(2)11-15-7-9-17(19)10-8-15/h3-11,19H,12H2,1-2H3/b14-11+.
What are the key properties of (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one?
(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one is sourced from PubChem (CID 159020856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).