(6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H23NO5 — CID 11417336

IUPAC(6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cc(OC(C)C)ccc23)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-12(2)27-14-6-7-15-16(11-22-17(15)10-14)20(23)13-8-18(24-3)21(26-5)19(9-13)25-4/h6-12,22H,1-5H3
InChIKeyXTMDNJLCSUKATI-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.21
Rot. Bonds7

About (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11417336) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11417336
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cc(OC(C)C)ccc23)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-12(2)27-14-6-7-15-16(11-22-17(15)10-14)20(23)13-8-18(24-3)21(26-5)19(9-13)25-4/h6-12,22H,1-5H3
InChIKeyXTMDNJLCSUKATI-UHFFFAOYSA-N
XLogP4.21
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11417336) is (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c[nH]c3cc(OC(C)C)ccc23)cc(OC)c1OC.
What is the InChIKey of (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XTMDNJLCSUKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-12(2)27-14-6-7-15-16(11-22-17(15)10-14)20(23)13-8-18(24-3)21(26-5)19(9-13)25-4/h6-12,22H,1-5H3.
What are the key properties of (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yloxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11417336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).