6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol

C13H17BrO2 — CID 114715630

IUPAC6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)CC1CC(O)c2cc(Br)ccc2O1
InChIInChI=1S/C13H17BrO2/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6,8,10,12,15H,5,7H2,1-2H3
InChIKeyLDTISLVVDJNTOU-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.68
Rot. Bonds2

About 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol

6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715630) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715630
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)CC1CC(O)c2cc(Br)ccc2O1
InChIInChI=1S/C13H17BrO2/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6,8,10,12,15H,5,7H2,1-2H3
InChIKeyLDTISLVVDJNTOU-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715630) is 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol is CC(C)CC1CC(O)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is LDTISLVVDJNTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6,8,10,12,15H,5,7H2,1-2H3.
What are the key properties of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol?
6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 285.18 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).