2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol

C12H14Br2O2 — CID 119094647

IUPAC2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
SMILESOCC(Br)C(Br)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14Br2O2/c13-11(7-15)12(14)16-10-5-4-8-2-1-3-9(8)6-10/h4-6,11-12,15H,1-3,7H2
InChIKeyOKQXIQGFQURBAP-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.03
Rot. Bonds4

About 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol

2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol (PubChem CID 119094647) has the molecular formula C12H14Br2O2 and a molecular weight of 350.05 g/mol. Its IUPAC name is 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol.

Molecular Properties

Compound Name2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
PubChem CID119094647
Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
Exact Mass347.94
IUPAC Name2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
SMILESOCC(Br)C(Br)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14Br2O2/c13-11(7-15)12(14)16-10-5-4-8-2-1-3-9(8)6-10/h4-6,11-12,15H,1-3,7H2
InChIKeyOKQXIQGFQURBAP-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 64719056
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 114358211
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 28946173
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
2-(cyclopropylamino)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
CID 64803434

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol?
The IUPAC name of 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol (CID 119094647) is 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol.
What is the SMILES notation for 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol?
The canonical SMILES for 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol is OCC(Br)C(Br)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol?
The InChIKey is OKQXIQGFQURBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O2/c13-11(7-15)12(14)16-10-5-4-8-2-1-3-9(8)6-10/h4-6,11-12,15H,1-3,7H2.
What are the key properties of 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol?
2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol has a molecular weight of 350.05 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol is sourced from PubChem (CID 119094647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).