3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one

C19H20O6 — CID 162917164

IUPAC3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one
SMILESCOC(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C19H20O6/c1-22-13-6-7-14(15(20)11-13)19(21)18(25-4)10-12-5-8-16(23-2)17(9-12)24-3/h5-11,20H,1-4H3
InChIKeyOWLPSZJBNLYHSI-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.29
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one

3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one (PubChem CID 162917164) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one
PubChem CID162917164
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one
SMILESCOC(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C19H20O6/c1-22-13-6-7-14(15(20)11-13)19(21)18(25-4)10-12-5-8-16(23-2)17(9-12)24-3/h5-11,20H,1-4H3
InChIKeyOWLPSZJBNLYHSI-UHFFFAOYSA-N
XLogP3.29
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(Z)-1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 92908968
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 146223481
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
CID 158503337
1-(6-hydroxy-1,3-benzodioxol-5-yl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 643011
3-(4-amino-3-methoxyphenyl)-2-chloro-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 173208401
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223495
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 84575847
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 4636794

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one (CID 162917164) is 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one is COC(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1O.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one?
The InChIKey is OWLPSZJBNLYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-13-6-7-14(15(20)11-13)19(21)18(25-4)10-12-5-8-16(23-2)17(9-12)24-3/h5-11,20H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one?
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one has a molecular weight of 344.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one is sourced from PubChem (CID 162917164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).