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

C18H17NO5 — CID 45485353

IUPAC(3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cc(O)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C18H17NO5/c1-22-11-4-5-14-12(8-11)13(9-19-14)17(21)10-6-15(20)18(24-3)16(7-10)23-2/h4-9,19-20H,1-3H3
InChIKeyGPVPZAYISRIJGU-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.13
Rot. Bonds5

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

(3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 45485353) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID45485353
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cc(O)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C18H17NO5/c1-22-11-4-5-14-12(8-11)13(9-19-14)17(21)10-6-15(20)18(24-3)16(7-10)23-2/h4-9,19-20H,1-3H3
InChIKeyGPVPZAYISRIJGU-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 (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone (CID 45485353) is (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3cc(O)c(OC)c(OC)c3)c2c1.
What is the InChIKey of (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is GPVPZAYISRIJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-11-4-5-14-12(8-11)13(9-19-14)17(21)10-6-15(20)18(24-3)16(7-10)23-2/h4-9,19-20H,1-3H3.
What are the key properties of (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone?
(3-hydroxy-4,5-dimethoxyphenyl)-(5-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 (3-hydroxy-4,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 45485353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).