(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone

C18H17NO2 — CID 43341913

IUPAC(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCCOc1ccccc1C(=O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C18H17NO2/c1-3-21-16-10-5-4-8-13(16)18(20)14-11-19-15-9-6-7-12(2)17(14)15/h4-11,19H,3H2,1-2H3
InChIKeyWUWNUCLPXNZJHY-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.11
Rot. Bonds4

About (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone

(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone (PubChem CID 43341913) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
PubChem CID43341913
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCCOc1ccccc1C(=O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C18H17NO2/c1-3-21-16-10-5-4-8-13(16)18(20)14-11-19-15-9-6-7-12(2)17(14)15/h4-11,19H,3H2,1-2H3
InChIKeyWUWNUCLPXNZJHY-UHFFFAOYSA-N
XLogP4.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81396807
(4-ethoxy-1H-indol-3-yl)-(furan-3-yl)methanone
CID 83163327
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162872
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83164049
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone (CID 43341913) is (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone is CCOc1ccccc1C(=O)c1c[nH]c2cccc(C)c12.
What is the InChIKey of (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The InChIKey is WUWNUCLPXNZJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-16-10-5-4-8-13(16)18(20)14-11-19-15-9-6-7-12(2)17(14)15/h4-11,19H,3H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 43341913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).