1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene

C11H13BrO2 — CID 61384882

IUPAC1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1cc(OC)c2c(c1)C(Br)CC2
InChIInChI=1S/C11H13BrO2/c1-13-7-5-9-8(3-4-10(9)12)11(6-7)14-2/h5-6,10H,3-4H2,1-2H3
InChIKeyQEZGBDLVUZCUQP-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.09
Rot. Bonds2

About 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene

1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene (PubChem CID 61384882) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
PubChem CID61384882
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1cc(OC)c2c(c1)C(Br)CC2
InChIInChI=1S/C11H13BrO2/c1-13-7-5-9-8(3-4-10(9)12)11(6-7)14-2/h5-6,10H,3-4H2,1-2H3
InChIKeyQEZGBDLVUZCUQP-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 62736738
(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 71412434
2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84628399
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
CID 71027995
1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43483009
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride
CID 70472623
(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
CID 130664492
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161
1-(5,7-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84633830

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene (CID 61384882) is 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene is COc1cc(OC)c2c(c1)C(Br)CC2.
What is the InChIKey of 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene?
The InChIKey is QEZGBDLVUZCUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-13-7-5-9-8(3-4-10(9)12)11(6-7)14-2/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene?
1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene has a molecular weight of 257.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 61384882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).