(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one

C26H24O2 — CID 161243705

IUPAC(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1.Cc1cccc(/C=C/C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O.C10H10O/c1-13-6-5-7-14(12-13)10-11-16(17)15-8-3-2-4-9-15;1-9(11)7-8-10-5-3-2-4-6-10/h2-12H,1H3;2-8H,1H3/b11-10+;8-7+
InChIKeyVAIRPYNMZHDKTF-FKLVIAAOSA-N
MW368.48 g/mol
LogP6.18
Rot. Bonds5

About (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one

(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one (PubChem CID 161243705) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
PubChem CID161243705
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1.Cc1cccc(/C=C/C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O.C10H10O/c1-13-6-5-7-14(12-13)10-11-16(17)15-8-3-2-4-9-15;1-9(11)7-8-10-5-3-2-4-6-10/h2-12H,1H3;2-8H,1H3/b11-10+;8-7+
InChIKeyVAIRPYNMZHDKTF-FKLVIAAOSA-N
XLogP6.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 123185506
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one
CID 101356551
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one?
The IUPAC name of (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one (CID 161243705) is (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one.
What is the SMILES notation for (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one?
The canonical SMILES for (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one is CC(=O)/C=C/c1ccccc1.Cc1cccc(/C=C/C(=O)c2ccccc2)c1.
What is the InChIKey of (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one?
The InChIKey is VAIRPYNMZHDKTF-FKLVIAAOSA-N. The full InChI is InChI=1S/C16H14O.C10H10O/c1-13-6-5-7-14(12-13)10-11-16(17)15-8-3-2-4-9-15;1-9(11)7-8-10-5-3-2-4-6-10/h2-12H,1H3;2-8H,1H3/b11-10+;8-7+.
What are the key properties of (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one?
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one has a molecular weight of 368.48 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one is sourced from PubChem (CID 161243705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).