2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one

C19H18O6 — CID 58427526

IUPAC2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
SMILESCOc1ccc(-c2oc3ccc(CO)cc3c(=O)c2OC)cc1OC
InChIInChI=1S/C19H18O6/c1-22-15-7-5-12(9-16(15)23-2)18-19(24-3)17(21)13-8-11(10-20)4-6-14(13)25-18/h4-9,20H,10H2,1-3H3
InChIKeyJYSRNQXRFVRGKV-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.98
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one

2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one (PubChem CID 58427526) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
PubChem CID58427526
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
SMILESCOc1ccc(-c2oc3ccc(CO)cc3c(=O)c2OC)cc1OC
InChIInChI=1S/C19H18O6/c1-22-15-7-5-12(9-16(15)23-2)18-19(24-3)17(21)13-8-11(10-20)4-6-14(13)25-18/h4-9,20H,10H2,1-3H3
InChIKeyJYSRNQXRFVRGKV-UHFFFAOYSA-N
XLogP2.98
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
3-[2-(3,4-dimethoxyphenyl)-3-methylsulfonyl-1-benzofuran-5-yl]propanoic acid
CID 141202506
propan-2-yl 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate
CID 21000621
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one (CID 58427526) is 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one is COc1ccc(-c2oc3ccc(CO)cc3c(=O)c2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one?
The InChIKey is JYSRNQXRFVRGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-22-15-7-5-12(9-16(15)23-2)18-19(24-3)17(21)13-8-11(10-20)4-6-14(13)25-18/h4-9,20H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one has a molecular weight of 342.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one is sourced from PubChem (CID 58427526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).