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

C13H15BrO3 — CID 114715586

IUPAC6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCOC2)Oc2ccc(Br)cc21
InChIInChI=1S/C13H15BrO3/c14-9-1-2-12-10(5-9)11(15)6-13(17-12)8-3-4-16-7-8/h1-2,5,8,11,13,15H,3-4,6-7H2
InChIKeyCXXZJQDSPGYSPI-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.67
Rot. Bonds1

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

6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715586) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715586
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCOC2)Oc2ccc(Br)cc21
InChIInChI=1S/C13H15BrO3/c14-9-1-2-12-10(5-9)11(15)6-13(17-12)8-3-4-16-7-8/h1-2,5,8,11,13,15H,3-4,6-7H2
InChIKeyCXXZJQDSPGYSPI-UHFFFAOYSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951252
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715178
(4S)-6-bromo-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951316
(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 104951328
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
CID 142380263
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715676
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114715586) is 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(C2CCOC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CXXZJQDSPGYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c14-9-1-2-12-10(5-9)11(15)6-13(17-12)8-3-4-16-7-8/h1-2,5,8,11,13,15H,3-4,6-7H2.
What are the key properties of 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 299.16 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).