(5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO4 — CID 10448975

IUPAC(5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc3cc(C)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-12-5-6-15-13(9-12)7-8-20(15)19(21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-11H,1-4H3
InChIKeyNIYIEKGGPBHIQK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.66
Rot. Bonds4

About (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10448975) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10448975
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc3cc(C)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-12-5-6-15-13(9-12)7-8-20(15)19(21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-11H,1-4H3
InChIKeyNIYIEKGGPBHIQK-UHFFFAOYSA-N
XLogP3.66
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10448975) is (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2ccc3cc(C)ccc32)cc(OC)c1OC.
What is the InChIKey of (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NIYIEKGGPBHIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-5-6-15-13(9-12)7-8-20(15)19(21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-11H,1-4H3.
What are the key properties of (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 325.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10448975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).