6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol

C14H17BrO3 — CID 114715676

IUPAC6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCC(C2CC(O)c3cc(Br)ccc3O2)O1
InChIInChI=1S/C14H17BrO3/c1-8-2-4-13(17-8)14-7-11(16)10-6-9(15)3-5-12(10)18-14/h3,5-6,8,11,13-14,16H,2,4,7H2,1H3
InChIKeyYFYXVEOHJJOYJG-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.20
Rot. Bonds1

About 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol

6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715676) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715676
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCC(C2CC(O)c3cc(Br)ccc3O2)O1
InChIInChI=1S/C14H17BrO3/c1-8-2-4-13(17-8)14-7-11(16)10-6-9(15)3-5-12(10)18-14/h3,5-6,8,11,13-14,16H,2,4,7H2,1H3
InChIKeyYFYXVEOHJJOYJG-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114715676) is 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol is CC1CCC(C2CC(O)c3cc(Br)ccc3O2)O1.
What is the InChIKey of 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YFYXVEOHJJOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c1-8-2-4-13(17-8)14-7-11(16)10-6-9(15)3-5-12(10)18-14/h3,5-6,8,11,13-14,16H,2,4,7H2,1H3.
What are the key properties of 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 313.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).