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

C12H13BrO2 — CID 104951380

IUPAC(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C12H13BrO2/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12,14H,1-2,6H2/t10-,12?/m1/s1
InChIKeyKIWYHOOOCUOBRW-RWANSRKNSA-N
MW269.14 g/mol
LogP3.04
Rot. Bonds1

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

(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951380) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951380
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C12H13BrO2/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12,14H,1-2,6H2/t10-,12?/m1/s1
InChIKeyKIWYHOOOCUOBRW-RWANSRKNSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chroman-4-ol
CID 92890
5-Bromo-2-methoxybenzyl alcohol
CID 612298
(4S)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 7058027
6-Bromochroman
CID 10856814
3-methyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 11858753
6-bromo-2-phenyl-2H-chromene
CID 44721340
(R)-4-Chromanol
CID 640695
(4S)-6-bromo-3,4-dihydro-2H-1-benzopyran-4-ol
CID 15420540
rac-(3R,4R)-3-bromo-3,4-dihydro-2H-1-benzopyran-4-ol
CID 68919769
6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran
CID 15840550
6-bromo-3,4-dihydro-2H-1-benzopyran-4-ol
CID 43234423
1-(5-Bromo-2-methoxyphenyl)undeca-2,4-diyne-1,6-diol
CID 142726651

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol (CID 104951380) is (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(C2CC2)Oc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KIWYHOOOCUOBRW-RWANSRKNSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12,14H,1-2,6H2/t10-,12?/m1/s1.
What are the key properties of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 269.14 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).