(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one

C9H5BrCl2O2 — CID 86339676

IUPAC(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Cl)c(Cl)cc2OC[C@H]1Br
InChIInChI=1S/C9H5BrCl2O2/c10-5-3-14-8-2-7(12)6(11)1-4(8)9(5)13/h1-2,5H,3H2/t5-/m1/s1
InChIKeyMQIQMOQHNJSIAU-RXMQYKEDSA-N
MW295.95 g/mol
LogP3.33
Rot. Bonds

About (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one

(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one (PubChem CID 86339676) has the molecular formula C9H5BrCl2O2 and a molecular weight of 295.95 g/mol. Its IUPAC name is (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one
PubChem CID86339676
Molecular FormulaC9H5BrCl2O2
Molecular Weight295.95 g/mol
Exact Mass293.88
IUPAC Name(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Cl)c(Cl)cc2OC[C@H]1Br
InChIInChI=1S/C9H5BrCl2O2/c10-5-3-14-8-2-7(12)6(11)1-4(8)9(5)13/h1-2,5H,3H2/t5-/m1/s1
InChIKeyMQIQMOQHNJSIAU-RXMQYKEDSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.95
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-8-chloro-6-fluoro-2,3-dihydrochromen-4-one
CID 71519214
(3R)-3-bromo-7-(trifluoromethyl)-2,3-dihydrochromen-4-one
CID 177204866
6,7-dichloro-3-[(dimethylamino)methylsulfanyl]-2,3-dihydrochromen-4-one;hydrochloride
CID 70471726
4-bromo-7-chloro-3,4-dihydro-2H-1-benzoxepin-5-one
CID 70250695
3-bromo-6-phenylmethoxy-2,3-dihydrochromen-4-one
CID 19600716
7,8-dichloro-4-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250203
(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
CID 95861308
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
3-(bromomethyl)-6,7-dichloro-2,3-dihydro-1,4-benzodioxine
CID 13084419
6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
CID 12664412
3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
CID 82603967
7,8-dichloro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232155

Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one (CID 86339676) is (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one is O=C1c2cc(Cl)c(Cl)cc2OC[C@H]1Br.
What is the InChIKey of (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one?
The InChIKey is MQIQMOQHNJSIAU-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H5BrCl2O2/c10-5-3-14-8-2-7(12)6(11)1-4(8)9(5)13/h1-2,5H,3H2/t5-/m1/s1.
What are the key properties of (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one?
(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one has a molecular weight of 295.95 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 86339676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).