(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

C16H16O6 — CID 18004169

IUPAC(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(O)cc2O)cc(OC)c1OC
InChIInChI=1S/C16H16O6/c1-20-13-6-9(7-14(21-2)16(13)22-3)15(19)11-5-4-10(17)8-12(11)18/h4-8,17-18H,1-3H3
InChIKeyACPNMZAVRMIETR-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.35
Rot. Bonds5

About (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 18004169) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID18004169
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(O)cc2O)cc(OC)c1OC
InChIInChI=1S/C16H16O6/c1-20-13-6-9(7-14(21-2)16(13)22-3)15(19)11-5-4-10(17)8-12(11)18/h4-8,17-18H,1-3H3
InChIKeyACPNMZAVRMIETR-UHFFFAOYSA-N
XLogP2.35
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dihydroxyphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 66596654
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 4047183
[2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 66987669
(3,5-ditert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
CID 18186012
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44580815
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
[3,4-dihydroxy-2-(methylamino)phenyl]-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
CID 162820408
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 143584965
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 18004169) is (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(O)cc2O)cc(OC)c1OC.
What is the InChIKey of (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ACPNMZAVRMIETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-20-13-6-9(7-14(21-2)16(13)22-3)15(19)11-5-4-10(17)8-12(11)18/h4-8,17-18H,1-3H3.
What are the key properties of (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 304.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 18004169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).