6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one

C17H16BrNO2 — CID 165089344

IUPAC6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one
SMILESCCCOc1cccc(N2C(=O)Cc3ccc(Br)cc32)c1
InChIInChI=1S/C17H16BrNO2/c1-2-8-21-15-5-3-4-14(11-15)19-16-10-13(18)7-6-12(16)9-17(19)20/h3-7,10-11H,2,8-9H2,1H3
InChIKeyWLAOZMFKULUBCM-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.46
Rot. Bonds4

About 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one

6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one (PubChem CID 165089344) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one
PubChem CID165089344
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one
SMILESCCCOc1cccc(N2C(=O)Cc3ccc(Br)cc32)c1
InChIInChI=1S/C17H16BrNO2/c1-2-8-21-15-5-3-4-14(11-15)19-16-10-13(18)7-6-12(16)9-17(19)20/h3-7,10-11H,2,8-9H2,1H3
InChIKeyWLAOZMFKULUBCM-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110568997
1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110583912
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
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3-(4-methylpiperidin-1-yl)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558321
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
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3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
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CID 110593914

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one?
The IUPAC name of 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one (CID 165089344) is 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one.
What is the SMILES notation for 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one?
The canonical SMILES for 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one is CCCOc1cccc(N2C(=O)Cc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one?
The InChIKey is WLAOZMFKULUBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-2-8-21-15-5-3-4-14(11-15)19-16-10-13(18)7-6-12(16)9-17(19)20/h3-7,10-11H,2,8-9H2,1H3.
What are the key properties of 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one?
6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one has a molecular weight of 346.22 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one is sourced from PubChem (CID 165089344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).