5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene

C12H15BrO — CID 47002601

IUPAC5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
SMILESCC(C)OC1CCc2cc(Br)ccc21
InChIInChI=1S/C12H15BrO/c1-8(2)14-12-6-3-9-7-10(13)4-5-11(9)12/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyAVUQWQCTLHMHME-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.86
Rot. Bonds2

About 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene

5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene (PubChem CID 47002601) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
PubChem CID47002601
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
SMILESCC(C)OC1CCc2cc(Br)ccc21
InChIInChI=1S/C12H15BrO/c1-8(2)14-12-6-3-9-7-10(13)4-5-11(9)12/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyAVUQWQCTLHMHME-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene (CID 47002601) is 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene is CC(C)OC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
The InChIKey is AVUQWQCTLHMHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-8(2)14-12-6-3-9-7-10(13)4-5-11(9)12/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene has a molecular weight of 255.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 47002601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).