1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

C19H18O3 — CID 75849823

IUPAC1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C=CC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H18O3/c1-3-13-22-17-10-7-15(8-11-17)9-12-19(20)16-5-4-6-18(14-16)21-2/h3-12,14H,1,13H2,2H3
InChIKeyBFMHOWHCIJAFJI-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.16
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 75849823) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
PubChem CID75849823
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C=CC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H18O3/c1-3-13-22-17-10-7-15(8-11-17)9-12-19(20)16-5-4-6-18(14-16)21-2/h3-12,14H,1,13H2,2H3
InChIKeyBFMHOWHCIJAFJI-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 19560724
methyl 4-[[4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7947254
(E)-3-[4-(difluoromethoxy)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 6210972
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
(E)-3-(4-ethoxyphenyl)-1-[3-[4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 167993814
1-(3-butoxyphenyl)-3-(4-octadecoxyphenyl)prop-2-en-1-one
CID 139681221
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
3-(4-tert-butyl-3,5-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54487750

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 75849823) is 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C=CC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The InChIKey is BFMHOWHCIJAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-13-22-17-10-7-15(8-11-17)9-12-19(20)16-5-4-6-18(14-16)21-2/h3-12,14H,1,13H2,2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 294.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75849823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).