(3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone

C17H18O6 — CID 56666165

IUPAC(3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C17H18O6/c1-20-12-6-5-10(7-13(12)21-2)16(18)11-8-14(22-3)17(19)15(9-11)23-4/h5-9,19H,1-4H3
InChIKeyUAPQENPDUPBCLH-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.66
Rot. Bonds6

About (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone

(3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone (PubChem CID 56666165) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
PubChem CID56666165
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name(3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C17H18O6/c1-20-12-6-5-10(7-13(12)21-2)16(18)11-8-14(22-3)17(19)15(9-11)23-4/h5-9,19H,1-4H3
InChIKeyUAPQENPDUPBCLH-UHFFFAOYSA-N
XLogP2.66
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone (CID 56666165) is (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(OC)c(O)c(OC)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
The InChIKey is UAPQENPDUPBCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-20-12-6-5-10(7-13(12)21-2)16(18)11-8-14(22-3)17(19)15(9-11)23-4/h5-9,19H,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
(3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone has a molecular weight of 318.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 56666165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).