(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone

C16H12BrNO2 — CID 43340488

IUPAC(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3ccccc3Br)c2c1
InChIInChI=1S/C16H12BrNO2/c1-20-10-6-7-15-12(8-10)13(9-18-15)16(19)11-4-2-3-5-14(11)17/h2-9,18H,1H3
InChIKeyGJYMDBGHKGMBLX-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.17
Rot. Bonds3

About (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone

(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 43340488) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID43340488
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3ccccc3Br)c2c1
InChIInChI=1S/C16H12BrNO2/c1-20-10-6-7-15-12(8-10)13(9-18-15)16(19)11-4-2-3-5-14(11)17/h2-9,18H,1H3
InChIKeyGJYMDBGHKGMBLX-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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Related Compounds

(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone (CID 43340488) is (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3ccccc3Br)c2c1.
What is the InChIKey of (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is GJYMDBGHKGMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-20-10-6-7-15-12(8-10)13(9-18-15)16(19)11-4-2-3-5-14(11)17/h2-9,18H,1H3.
What are the key properties of (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)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 (2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 43340488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).