(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one

C17H18O5 — CID 133083417

IUPAC(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
SMILESCOc1c(C)c(O)c(C(=O)/C=C/c2ccco2)c(OC)c1C
InChIInChI=1S/C17H18O5/c1-10-15(19)14(17(21-4)11(2)16(10)20-3)13(18)8-7-12-6-5-9-22-12/h5-9,19H,1-4H3/b8-7+
InChIKeyZOWUOFGTHDDRET-BQYQJAHWSA-N
MW302.33 g/mol
LogP3.52
Rot. Bonds5

About (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one (PubChem CID 133083417) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
PubChem CID133083417
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
SMILESCOc1c(C)c(O)c(C(=O)/C=C/c2ccco2)c(OC)c1C
InChIInChI=1S/C17H18O5/c1-10-15(19)14(17(21-4)11(2)16(10)20-3)13(18)8-7-12-6-5-9-22-12/h5-9,19H,1-4H3/b8-7+
InChIKeyZOWUOFGTHDDRET-BQYQJAHWSA-N
XLogP3.52
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 127045490
(E)-1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 132536610
(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 169018349
3-(furan-2-yl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
CID 2837637
(E)-3-(3,4-difluorophenyl)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 169018344
8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
CID 6073975
3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 2839593
(E)-3-(4-fluorophenyl)-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 169018324
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13402801
(E)-1-[3-[[ethyl(2-methoxyethyl)amino]methyl]-2-hydroxy-6-methoxy-4-methylphenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 138507975
(E)-1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)-3,5-dimethylphenyl]-3-(4-hydroxysulfanylphenyl)prop-2-en-1-one
CID 169018392
3-[4-(dimethylamino)phenyl]-1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)-3,5-dimethylphenyl]prop-2-en-1-one
CID 169018338

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one (CID 133083417) is (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one is COc1c(C)c(O)c(C(=O)/C=C/c2ccco2)c(OC)c1C.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one?
The InChIKey is ZOWUOFGTHDDRET-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18O5/c1-10-15(19)14(17(21-4)11(2)16(10)20-3)13(18)8-7-12-6-5-9-22-12/h5-9,19H,1-4H3/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one has a molecular weight of 302.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 133083417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).