1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone

C17H15NO3 — CID 67641963

IUPAC1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2cccc(OCc3ccccc3)c2c1O
InChIInChI=1S/C17H15NO3/c1-11(19)16-17(20)15-13(18-16)8-5-9-14(15)21-10-12-6-3-2-4-7-12/h2-9,18,20H,10H2,1H3
InChIKeyAQFCFNQGAMYADM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone

1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone (PubChem CID 67641963) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone
PubChem CID67641963
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2cccc(OCc3ccccc3)c2c1O
InChIInChI=1S/C17H15NO3/c1-11(19)16-17(20)15-13(18-16)8-5-9-14(15)21-10-12-6-3-2-4-7-12/h2-9,18,20H,10H2,1H3
InChIKeyAQFCFNQGAMYADM-UHFFFAOYSA-N
XLogP3.66
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
CID 154159403
2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404
ethyl 10-phenylmethoxy-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 66640912
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604014
2-[(2-hydroxy-3-methoxyphenyl)methyl]-5-phenylmethoxy-9H-pyrido[3,4-b]indol-1-one
CID 142042228
ethyl 10-phenylmethoxy-1,2,5,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 91533588
2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
CID 152723537
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
CID 71528265
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone (CID 67641963) is 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone is CC(=O)c1[nH]c2cccc(OCc3ccccc3)c2c1O.
What is the InChIKey of 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone?
The InChIKey is AQFCFNQGAMYADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(19)16-17(20)15-13(18-16)8-5-9-14(15)21-10-12-6-3-2-4-7-12/h2-9,18,20H,10H2,1H3.
What are the key properties of 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone?
1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone has a molecular weight of 281.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone is sourced from PubChem (CID 67641963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).