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

C18H17NO4 — CID 11162707

IUPAC(3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2c[nH]c3cc(OC)ccc23)c1
InChIInChI=1S/C18H17NO4/c1-21-12-4-5-15-16(10-19-17(15)9-12)18(20)11-6-13(22-2)8-14(7-11)23-3/h4-10,19H,1-3H3
InChIKeyMRFRAQNSKCLEQW-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.42
Rot. Bonds5

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

(3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (PubChem CID 11162707) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
PubChem CID11162707
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2c[nH]c3cc(OC)ccc23)c1
InChIInChI=1S/C18H17NO4/c1-21-12-4-5-15-16(10-19-17(15)9-12)18(20)11-6-13(22-2)8-14(7-11)23-3/h4-10,19H,1-3H3
InChIKeyMRFRAQNSKCLEQW-UHFFFAOYSA-N
XLogP3.42
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (CID 11162707) is (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is COc1cc(OC)cc(C(=O)c2c[nH]c3cc(OC)ccc23)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The InChIKey is MRFRAQNSKCLEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-12-4-5-15-16(10-19-17(15)9-12)18(20)11-6-13(22-2)8-14(7-11)23-3/h4-10,19H,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
(3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone has a molecular weight of 311.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 11162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).