1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene

C13H17BrO — CID 79726118

IUPAC1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene
SMILESCCOc1cccc2c1C(C)C(C)C2Br
InChIInChI=1S/C13H17BrO/c1-4-15-11-7-5-6-10-12(11)8(2)9(3)13(10)14/h5-9,13H,4H2,1-3H3
InChIKeyCTFLKUSUTIGTKM-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.27
Rot. Bonds2

About 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene

1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene (PubChem CID 79726118) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene
PubChem CID79726118
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene
SMILESCCOc1cccc2c1C(C)C(C)C2Br
InChIInChI=1S/C13H17BrO/c1-4-15-11-7-5-6-10-12(11)8(2)9(3)13(10)14/h5-9,13H,4H2,1-3H3
InChIKeyCTFLKUSUTIGTKM-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene (CID 79726118) is 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene is CCOc1cccc2c1C(C)C(C)C2Br.
What is the InChIKey of 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is CTFLKUSUTIGTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-4-15-11-7-5-6-10-12(11)8(2)9(3)13(10)14/h5-9,13H,4H2,1-3H3.
What are the key properties of 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene?
1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 269.18 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethoxy-2,3-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 79726118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).