1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone

C22H19NO2 — CID 53308687

IUPAC1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
SMILESCOc1cc2c(C(C)=O)c(C)n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C22H19NO2/c1-14-21(15(2)24)19-13-20(25-3)17-11-7-8-12-18(17)22(19)23(14)16-9-5-4-6-10-16/h4-13H,1-3H3
InChIKeyHHDWSVBPGIVMMU-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.30
Rot. Bonds3

About 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone

1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone (PubChem CID 53308687) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
PubChem CID53308687
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
SMILESCOc1cc2c(C(C)=O)c(C)n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C22H19NO2/c1-14-21(15(2)24)19-13-20(25-3)17-11-7-8-12-18(17)22(19)23(14)16-9-5-4-6-10-16/h4-13H,1-3H3
InChIKeyHHDWSVBPGIVMMU-UHFFFAOYSA-N
XLogP5.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone?
The IUPAC name of 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone (CID 53308687) is 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone is COc1cc2c(C(C)=O)c(C)n(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone?
The InChIKey is HHDWSVBPGIVMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-14-21(15(2)24)19-13-20(25-3)17-11-7-8-12-18(17)22(19)23(14)16-9-5-4-6-10-16/h4-13H,1-3H3.
What are the key properties of 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone?
1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone is sourced from PubChem (CID 53308687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).