(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone

C18H16BrNO3 — CID 91690565

IUPAC(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone
SMILESCOc1ccc(Br)cc1C(=O)n1c(C)c(CO)c2ccccc21
InChIInChI=1S/C18H16BrNO3/c1-11-15(10-21)13-5-3-4-6-16(13)20(11)18(22)14-9-12(19)7-8-17(14)23-2/h3-9,21H,10H2,1-2H3
InChIKeyPKQJOAVCIPPSCR-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.90
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone

(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone (PubChem CID 91690565) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone
PubChem CID91690565
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone
SMILESCOc1ccc(Br)cc1C(=O)n1c(C)c(CO)c2ccccc21
InChIInChI=1S/C18H16BrNO3/c1-11-15(10-21)13-5-3-4-6-16(13)20(11)18(22)14-9-12(19)7-8-17(14)23-2/h3-9,21H,10H2,1-2H3
InChIKeyPKQJOAVCIPPSCR-UHFFFAOYSA-N
XLogP3.90
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-[3-(hydroxymethyl)-2-methylindol-1-yl]-2-methylpropan-1-one
CID 99971013
1-(3-bromo-4-methoxybenzoyl)-2-methylindole-3-carbaldehyde
CID 91690722
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(5-bromo-2-methoxyphenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 50850566
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
CID 43822440
6-bromo-3-(5-bromo-2-methoxybenzoyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4771418
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
1-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone?
The IUPAC name of (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone (CID 91690565) is (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone is COc1ccc(Br)cc1C(=O)n1c(C)c(CO)c2ccccc21.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone?
The InChIKey is PKQJOAVCIPPSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-11-15(10-21)13-5-3-4-6-16(13)20(11)18(22)14-9-12(19)7-8-17(14)23-2/h3-9,21H,10H2,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone?
(5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone has a molecular weight of 374.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-[3-(hydroxymethyl)-2-methylindol-1-yl]methanone is sourced from PubChem (CID 91690565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).