2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone

C17H15NO3 — CID 172736590

IUPAC2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
SMILESO=C(CO)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C17H15NO3/c19-10-17(20)16-9-13-8-14(6-7-15(13)18-16)21-11-12-4-2-1-3-5-12/h1-9,18-19H,10-11H2
InChIKeyINGICUMHHHKAMY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.92
Rot. Bonds5

About 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone

2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone (PubChem CID 172736590) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
PubChem CID172736590
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
SMILESO=C(CO)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C17H15NO3/c19-10-17(20)16-9-13-8-14(6-7-15(13)18-16)21-11-12-4-2-1-3-5-12/h1-9,18-19H,10-11H2
InChIKeyINGICUMHHHKAMY-UHFFFAOYSA-N
XLogP2.92
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 170153096
[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 71190441
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 160518033
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone (CID 172736590) is 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone is O=C(CO)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
The InChIKey is INGICUMHHHKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-10-17(20)16-9-13-8-14(6-7-15(13)18-16)21-11-12-4-2-1-3-5-12/h1-9,18-19H,10-11H2.
What are the key properties of 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone has a molecular weight of 281.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone is sourced from PubChem (CID 172736590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).