[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H25NO7 — CID 59994721

IUPAC[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c3cc(CO)ccc23)cc1O
InChIInChI=1S/C26H25NO7/c1-31-20-8-6-15(10-19(20)29)23-17-7-5-14(13-28)9-18(17)27-24(23)25(30)16-11-21(32-2)26(34-4)22(12-16)33-3/h5-12,27-29H,13H2,1-4H3
InChIKeyVZACLQRNIJPFBK-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.30
Rot. Bonds8

About [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 59994721) has the molecular formula C26H25NO7 and a molecular weight of 463.49 g/mol. Its IUPAC name is [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID59994721
Molecular FormulaC26H25NO7
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Name[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c3cc(CO)ccc23)cc1O
InChIInChI=1S/C26H25NO7/c1-31-20-8-6-15(10-19(20)29)23-17-7-5-14(13-28)9-18(17)27-24(23)25(30)16-11-21(32-2)26(34-4)22(12-16)33-3/h5-12,27-29H,13H2,1-4H3
InChIKeyVZACLQRNIJPFBK-UHFFFAOYSA-N
XLogP4.30
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[6-methoxy-3-[4-methoxy-3-(phosphonatoamino)phenyl]-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755497
[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755479
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102062888
[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67888868
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 71723332
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
[7-(1,2-dihydroxyethyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 170857829
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59138493
2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23539246
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
6-(4-bromobenzoyl)-5-(3,4,5-trimethoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 73294300

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 59994721) is [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c3cc(CO)ccc23)cc1O.
What is the InChIKey of [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is VZACLQRNIJPFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO7/c1-31-20-8-6-15(10-19(20)29)23-17-7-5-14(13-28)9-18(17)27-24(23)25(30)16-11-21(32-2)26(34-4)22(12-16)33-3/h5-12,27-29H,13H2,1-4H3.
What are the key properties of [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 463.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 59994721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).