(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone

C16H14BrNO3 — CID 18165322

IUPAC(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3ccccc32)cc(Br)c1O
InChIInChI=1S/C16H14BrNO3/c1-21-14-9-11(8-12(17)15(14)19)16(20)18-7-6-10-4-2-3-5-13(10)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyIYHSUMDYQNSLBU-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.37
Rot. Bonds2

About (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone

(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 18165322) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID18165322
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3ccccc32)cc(Br)c1O
InChIInChI=1S/C16H14BrNO3/c1-21-14-9-11(8-12(17)15(14)19)16(20)18-7-6-10-4-2-3-5-13(10)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyIYHSUMDYQNSLBU-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4955762
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (CID 18165322) is (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is COc1cc(C(=O)N2CCc3ccccc32)cc(Br)c1O.
What is the InChIKey of (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is IYHSUMDYQNSLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-21-14-9-11(8-12(17)15(14)19)16(20)18-7-6-10-4-2-3-5-13(10)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 348.20 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 18165322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).