(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone

C16H12BrNO2 — CID 43162092

IUPAC(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C16H12BrNO2/c1-20-12-4-2-3-10(7-12)16(19)14-9-18-15-6-5-11(17)8-13(14)15/h2-9,18H,1H3
InChIKeyZGBNPVAIDXGJOZ-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.17
Rot. Bonds3

About (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone

(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone (PubChem CID 43162092) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
PubChem CID43162092
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C16H12BrNO2/c1-20-12-4-2-3-10(7-12)16(19)14-9-18-15-6-5-11(17)8-13(14)15/h2-9,18H,1H3
InChIKeyZGBNPVAIDXGJOZ-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

3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
(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
6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone (CID 43162092) is (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone?
The InChIKey is ZGBNPVAIDXGJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-20-12-4-2-3-10(7-12)16(19)14-9-18-15-6-5-11(17)8-13(14)15/h2-9,18H,1H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone?
(5-bromo-1H-indol-3-yl)-(3-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 (5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 43162092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).