(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone

C18H17NO2 — CID 80649082

IUPAC(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3cccc(C)c3)c2c1
InChIInChI=1S/C18H17NO2/c1-3-21-14-7-8-17-15(10-14)16(11-19-17)18(20)13-6-4-5-12(2)9-13/h4-11,19H,3H2,1-2H3
InChIKeyOAUOSGRYQRFMSE-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.11
Rot. Bonds4

About (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone

(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone (PubChem CID 80649082) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
PubChem CID80649082
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3cccc(C)c3)c2c1
InChIInChI=1S/C18H17NO2/c1-3-21-14-7-8-17-15(10-14)16(11-19-17)18(20)13-6-4-5-12(2)9-13/h4-11,19H,3H2,1-2H3
InChIKeyOAUOSGRYQRFMSE-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

6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 106683863
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
5-ethoxy-3-methyl-1H-indole
CID 82490542
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone?
The IUPAC name of (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone (CID 80649082) is (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone is CCOc1ccc2[nH]cc(C(=O)c3cccc(C)c3)c2c1.
What is the InChIKey of (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone?
The InChIKey is OAUOSGRYQRFMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-14-7-8-17-15(10-14)16(11-19-17)18(20)13-6-4-5-12(2)9-13/h4-11,19H,3H2,1-2H3.
What are the key properties of (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone?
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)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 (5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 80649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).