7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol

C9H8BrClO2 — CID 165122996

IUPAC7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
SMILESOc1c(Br)cc(Cl)c2c1OCCC2
InChIInChI=1S/C9H8BrClO2/c10-6-4-7(11)5-2-1-3-13-9(5)8(6)12/h4,12H,1-3H2
InChIKeyAARKIZMGXIBWCE-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.13
Rot. Bonds

About 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol

7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol (PubChem CID 165122996) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
PubChem CID165122996
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
SMILESOc1c(Br)cc(Cl)c2c1OCCC2
InChIInChI=1S/C9H8BrClO2/c10-6-4-7(11)5-2-1-3-13-9(5)8(6)12/h4,12H,1-3H2
InChIKeyAARKIZMGXIBWCE-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol (CID 165122996) is 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol is Oc1c(Br)cc(Cl)c2c1OCCC2.
What is the InChIKey of 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is AARKIZMGXIBWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c10-6-4-7(11)5-2-1-3-13-9(5)8(6)12/h4,12H,1-3H2.
What are the key properties of 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol?
7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 263.52 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 165122996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).