(3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol

C9H9BrO2 — CID 86338137

IUPAC(3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1COc2c(Br)cccc2C1
InChIInChI=1S/C9H9BrO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3,7,11H,4-5H2/t7-/m1/s1
InChIKeyRWPMFKDQGCPGHX-SSDOTTSWSA-N
MW229.07 g/mol
LogP1.74
Rot. Bonds

About (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol

(3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol (PubChem CID 86338137) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol
PubChem CID86338137
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name(3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1COc2c(Br)cccc2C1
InChIInChI=1S/C9H9BrO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3,7,11H,4-5H2/t7-/m1/s1
InChIKeyRWPMFKDQGCPGHX-SSDOTTSWSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 86087175
9-bromo-2,5-dihydro-1-benzoxepine
CID 172833954
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-chromen-3-ol
CID 14839765
4,20-dibromo-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaene
CID 118155443
8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641705
9-bromo-3,5-dihydro-2H-1-benzoxepin-4-one
CID 82621992
8-bromo-2,2-difluoro-4H-1,3-benzodioxine
CID 70011646
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
7-chloro-3,4-dihydro-2H-chromen-3-ol
CID 15110076
(3S)-8-iodo-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130729134
8-bromo-3-methoxy-2,3-dihydrochromen-4-one
CID 130039350

Frequently Asked Questions

What is the IUPAC name of (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol (CID 86338137) is (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol is O[C@H]1COc2c(Br)cccc2C1.
What is the InChIKey of (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is RWPMFKDQGCPGHX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3,7,11H,4-5H2/t7-/m1/s1.
What are the key properties of (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol?
(3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 229.07 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-bromo-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 86338137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).