5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol

C12H15BrO2 — CID 101113074

IUPAC5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol
SMILESCC(C)C1CCc2c(ccc(O)c2Br)O1
InChIInChI=1S/C12H15BrO2/c1-7(2)10-5-3-8-11(15-10)6-4-9(14)12(8)13/h4,6-7,10,14H,3,5H2,1-2H3
InChIKeyYLFLHGBXKONREM-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.50
Rot. Bonds1

About 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol

5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 101113074) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol
PubChem CID101113074
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol
SMILESCC(C)C1CCc2c(ccc(O)c2Br)O1
InChIInChI=1S/C12H15BrO2/c1-7(2)10-5-3-8-11(15-10)6-4-9(14)12(8)13/h4,6-7,10,14H,3,5H2,1-2H3
InChIKeyYLFLHGBXKONREM-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol (CID 101113074) is 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol is CC(C)C1CCc2c(ccc(O)c2Br)O1.
What is the InChIKey of 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is YLFLHGBXKONREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7(2)10-5-3-8-11(15-10)6-4-9(14)12(8)13/h4,6-7,10,14H,3,5H2,1-2H3.
What are the key properties of 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol?
5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 271.15 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 101113074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).