(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[5-Bromo-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 10051605
1-[(5-bromo-2-methoxyphenyl)methyl]-5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)indole-2-carboxamide
CID 24890184
3-(2-(2-(4-fluorobenzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
CID 9956808
3-{2-[5-Bromo-2-(4-fluoro-benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-6-fluoro-benzoic acid
CID 10345789
3-[2-[5-Bromo-2-[(2-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 10480281
3-{2-[5-Bromo-2-(2,4,6-trifluoro-benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-benzoic acid
CID 10481653
3-[2-[5-Bromo-2-(cyclopentylmethoxy)phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 11213683
3-[2-[5-Bromo-2-(2-methylpropoxy)phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 11224723
3-(2-(2-(benzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
CID 44410874
3-{2-[5-Bromo-2-(benzyloxy)-phenyl]-5-ethyl-pyrrol-1-yl}-benzoic acid
CID 44413091
3-[2-[5-Bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 44413104
3-[2-[5-Bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 44413135

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).