[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone

C18H17NO3 — CID 56617388

IUPAC[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(CCO)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17NO3/c1-22-13-8-6-12(7-9-13)18(21)17-14-4-2-3-5-15(14)19-16(17)10-11-20/h2-9,19-20H,10-11H2,1H3
InChIKeyCMDRRBJPKYUCKB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds5

About [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone

[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 56617388) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID56617388
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(CCO)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17NO3/c1-22-13-8-6-12(7-9-13)18(21)17-14-4-2-3-5-15(14)19-16(17)10-11-20/h2-9,19-20H,10-11H2,1H3
InChIKeyCMDRRBJPKYUCKB-UHFFFAOYSA-N
XLogP2.94
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
(2S)-2-acetamido-3-[2-(4-methoxybenzoyl)-1H-indol-3-yl]propanoic acid
CID 175508915
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
(4-methoxyphenyl)-(3-methyl-2,6-dihydro-1H-azepino[4,5-b]indol-4-yl)methanone
CID 132990275
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
4-[3-[4-[4-[4-(cyclopropylmethyl)phenyl]butoxy]benzoyl]-1H-indol-2-yl]butanoic acid
CID 67839904
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
methyl (2S)-3-[2-[(4-methoxyphenyl)methyl]-1H-indol-3-yl]-2-(propanoylamino)propanoate
CID 170557356
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone (CID 56617388) is [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(CCO)[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is CMDRRBJPKYUCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-13-8-6-12(7-9-13)18(21)17-14-4-2-3-5-15(14)19-16(17)10-11-20/h2-9,19-20H,10-11H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone?
[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 295.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 56617388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).