(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one

C19H20O2 — CID 22971976

IUPAC(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-14-21-18-11-6-16(7-12-18)8-13-19(20)17-9-4-15(2)5-10-17/h4-13H,3,14H2,1-2H3/b13-8+
InChIKeyBZSIGSBULWKEGL-MDWZMJQESA-N
MW280.37 g/mol
LogP4.68
Rot. Bonds6

About (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one

(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one (PubChem CID 22971976) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
PubChem CID22971976
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-14-21-18-11-6-16(7-12-18)8-13-19(20)17-9-4-15(2)5-10-17/h4-13H,3,14H2,1-2H3/b13-8+
InChIKeyBZSIGSBULWKEGL-MDWZMJQESA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.68
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-methylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one
CID 70379262
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]benzoate
CID 8828157
2-[4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9447721
2-[4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 9447720
(E)-1-(4-hexadecoxyphenyl)-3-(4-tetradecoxyphenyl)prop-2-en-1-one
CID 132575724
2-[4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]phenoxy]acetonitrile
CID 9034627
(E)-3-(4-nitrophenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 8828153
(E)-3-(4-methylphenyl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]prop-2-en-1-one
CID 132555327
4-[3-(4-hexoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 71347268
(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 18795152
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 9448589

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one (CID 22971976) is (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one is CCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one?
The InChIKey is BZSIGSBULWKEGL-MDWZMJQESA-N. The full InChI is InChI=1S/C19H20O2/c1-3-14-21-18-11-6-16(7-12-18)8-13-19(20)17-9-4-15(2)5-10-17/h4-13H,3,14H2,1-2H3/b13-8+.
What are the key properties of (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one?
(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 22971976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).