7-bromo-4-methoxy-2-propan-2-yl-1H-indole

C12H14BrNO — CID 174995536

IUPAC7-bromo-4-methoxy-2-propan-2-yl-1H-indole
SMILESCOc1ccc(Br)c2[nH]c(C(C)C)cc12
InChIInChI=1S/C12H14BrNO/c1-7(2)10-6-8-11(15-3)5-4-9(13)12(8)14-10/h4-7,14H,1-3H3
InChIKeyUKNIOJMFLDQYRZ-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.06
Rot. Bonds2

About 7-bromo-4-methoxy-2-propan-2-yl-1H-indole

7-bromo-4-methoxy-2-propan-2-yl-1H-indole (PubChem CID 174995536) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 7-bromo-4-methoxy-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-bromo-4-methoxy-2-propan-2-yl-1H-indole
PubChem CID174995536
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name7-bromo-4-methoxy-2-propan-2-yl-1H-indole
SMILESCOc1ccc(Br)c2[nH]c(C(C)C)cc12
InChIInChI=1S/C12H14BrNO/c1-7(2)10-6-8-11(15-3)5-4-9(13)12(8)14-10/h4-7,14H,1-3H3
InChIKeyUKNIOJMFLDQYRZ-UHFFFAOYSA-N
XLogP4.06
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromo-4-methoxy-2-propan-2-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-4-methoxy-2-propan-2-yl-1H-indole
CID 83642855
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
1-bromo-3,4-dimethoxy-2-methylsulfanylbenzene
CID 15692127
5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine
CID 63232490
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-2-propan-2-yl-1H-indole?
The IUPAC name of 7-bromo-4-methoxy-2-propan-2-yl-1H-indole (CID 174995536) is 7-bromo-4-methoxy-2-propan-2-yl-1H-indole.
What is the SMILES notation for 7-bromo-4-methoxy-2-propan-2-yl-1H-indole?
The canonical SMILES for 7-bromo-4-methoxy-2-propan-2-yl-1H-indole is COc1ccc(Br)c2[nH]c(C(C)C)cc12.
What is the InChIKey of 7-bromo-4-methoxy-2-propan-2-yl-1H-indole?
The InChIKey is UKNIOJMFLDQYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-7(2)10-6-8-11(15-3)5-4-9(13)12(8)14-10/h4-7,14H,1-3H3.
What are the key properties of 7-bromo-4-methoxy-2-propan-2-yl-1H-indole?
7-bromo-4-methoxy-2-propan-2-yl-1H-indole has a molecular weight of 268.15 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-2-propan-2-yl-1H-indole is sourced from PubChem (CID 174995536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).