(6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone

C16H12BrNO2 — CID 62045022

IUPAC(6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C16H12BrNO2/c1-20-12-5-2-10(3-6-12)16(19)14-9-18-15-8-11(17)4-7-13(14)15/h2-9,18H,1H3
InChIKeyOOGAXICSSMOFPK-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.17
Rot. Bonds3

About (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone

(6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 62045022) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone
PubChem CID62045022
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name(6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C16H12BrNO2/c1-20-12-5-2-10(3-6-12)16(19)14-9-18-15-8-11(17)4-7-13(14)15/h2-9,18H,1H3
InChIKeyOOGAXICSSMOFPK-UHFFFAOYSA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone (CID 62045022) is (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c[nH]c3cc(Br)ccc23)cc1.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is OOGAXICSSMOFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-20-12-5-2-10(3-6-12)16(19)14-9-18-15-8-11(17)4-7-13(14)15/h2-9,18H,1H3.
What are the key properties of (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
(6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 330.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 62045022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).