(4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

C18H17NO5 — CID 11645570

IUPAC(4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(O)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C18H17NO5/c1-22-11-4-5-12-13(9-19-14(12)8-11)17(20)10-6-15(23-2)18(21)16(7-10)24-3/h4-9,19,21H,1-3H3
InChIKeyZPZUSIUTOXRAIX-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.13
Rot. Bonds5

About (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

(4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (PubChem CID 11645570) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
PubChem CID11645570
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(O)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C18H17NO5/c1-22-11-4-5-12-13(9-19-14(12)8-11)17(20)10-6-15(23-2)18(21)16(7-10)24-3/h4-9,19,21H,1-3H3
InChIKeyZPZUSIUTOXRAIX-UHFFFAOYSA-N
XLogP3.13
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (CID 11645570) is (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(O)c(OC)c3)c[nH]c2c1.
What is the InChIKey of (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The InChIKey is ZPZUSIUTOXRAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-11-4-5-12-13(9-19-14(12)8-11)17(20)10-6-15(23-2)18(21)16(7-10)24-3/h4-9,19,21H,1-3H3.
What are the key properties of (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
(4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone has a molecular weight of 327.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 11645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).