(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone

C15H10INO2 — CID 136618172

IUPAC(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(O)[nH]c2cc(I)ccc12
InChIInChI=1S/C15H10INO2/c16-10-6-7-11-12(8-10)17-15(19)13(11)14(18)9-4-2-1-3-5-9/h1-8,17,19H
InChIKeyCINPBETTZUUEOT-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.71
Rot. Bonds2

About (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone

(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone (PubChem CID 136618172) has the molecular formula C15H10INO2 and a molecular weight of 363.15 g/mol. Its IUPAC name is (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone
PubChem CID136618172
Molecular FormulaC15H10INO2
Molecular Weight363.15 g/mol
Exact Mass362.98
IUPAC Name(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(O)[nH]c2cc(I)ccc12
InChIInChI=1S/C15H10INO2/c16-10-6-7-11-12(8-10)17-15(19)13(11)14(18)9-4-2-1-3-5-9/h1-8,17,19H
InChIKeyCINPBETTZUUEOT-UHFFFAOYSA-N
XLogP3.71
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylic acid
CID 137469705
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
CID 134938636
(3-benzoyl-5-iodophenyl)-phenylmethanone
CID 126685146
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
methyl 3-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135838048
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
diphenylmethanone
CID 3102
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
4-[[(6-ethoxycarbonyl-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoic acid
CID 135837786
methyl 4-[[(6-amino-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
CID 135585870
(4-iodo-2-phenoxyphenyl)-phenylmethanone
CID 67055516

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone?
The IUPAC name of (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone (CID 136618172) is (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone is O=C(c1ccccc1)c1c(O)[nH]c2cc(I)ccc12.
What is the InChIKey of (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone?
The InChIKey is CINPBETTZUUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO2/c16-10-6-7-11-12(8-10)17-15(19)13(11)14(18)9-4-2-1-3-5-9/h1-8,17,19H.
What are the key properties of (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone?
(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone has a molecular weight of 363.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone is sourced from PubChem (CID 136618172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).