5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

C16H14BrNO2 — CID 81112630

IUPAC5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(Br)c(C(O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H14BrNO2/c1-9-2-4-13(17)12(6-9)16(20)10-3-5-14-11(7-10)8-15(19)18-14/h2-7,16,20H,8H2,1H3,(H,18,19)
InChIKeyABOYPWHQYMPRNG-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.33
Rot. Bonds2

About 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 81112630) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID81112630
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(Br)c(C(O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H14BrNO2/c1-9-2-4-13(17)12(6-9)16(20)10-3-5-14-11(7-10)8-15(19)18-14/h2-7,16,20H,8H2,1H3,(H,18,19)
InChIKeyABOYPWHQYMPRNG-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 106862670
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 81112630) is 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is Cc1ccc(Br)c(C(O)c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is ABOYPWHQYMPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-9-2-4-13(17)12(6-9)16(20)10-3-5-14-11(7-10)8-15(19)18-14/h2-7,16,20H,8H2,1H3,(H,18,19).
What are the key properties of 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81112630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).