(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO7 — CID 143584965

IUPAC(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(O)c3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO7/c1-24-13-6-5-11-12(9-20(23)16(11)18(13)22)17(21)10-7-14(25-2)19(27-4)15(8-10)26-3/h5-9,22-23H,1-4H3
InChIKeyYIHPGEGCKWUTCW-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.85
Rot. Bonds6

About (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 143584965) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID143584965
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(O)c3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO7/c1-24-13-6-5-11-12(9-20(23)16(11)18(13)22)17(21)10-7-14(25-2)19(27-4)15(8-10)26-3/h5-9,22-23H,1-4H3
InChIKeyYIHPGEGCKWUTCW-UHFFFAOYSA-N
XLogP2.85
TPSA99.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
CID 69328888
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate
CID 67077480
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate
CID 67077417
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316

Frequently Asked Questions

What is the IUPAC name of (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 143584965) is (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(O)c3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YIHPGEGCKWUTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7/c1-24-13-6-5-11-12(9-20(23)16(11)18(13)22)17(21)10-7-14(25-2)19(27-4)15(8-10)26-3/h5-9,22-23H,1-4H3.
What are the key properties of (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 373.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 143584965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).