(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol

C9H9Cl2NO2 — CID 99909432

IUPAC(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol
SMILESN[C@@H]1COc2c(Cl)cc(Cl)cc2[C@H]1O
InChIInChI=1S/C9H9Cl2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8-/m1/s1
InChIKeyUCGVHYJDMIEGIJ-HTQZYQBOSA-N
MW234.08 g/mol
LogP1.75
Rot. Bonds

About (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol

(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 99909432) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID99909432
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol
SMILESN[C@@H]1COc2c(Cl)cc(Cl)cc2[C@H]1O
InChIInChI=1S/C9H9Cl2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8-/m1/s1
InChIKeyUCGVHYJDMIEGIJ-HTQZYQBOSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol 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

6,8-dichloro-3-(diethylamino)-3,4-dihydro-2H-chromen-4-ol
CID 82187036
(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51557059
2-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432274
3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82020685
methyl 2-[6,8-dichloro-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-chromen-4-yl]propanoate
CID 155762813
1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 45043209
5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83048227
(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51600789
4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 18783120
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
CID 71517079
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol (CID 99909432) is (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol is N[C@@H]1COc2c(Cl)cc(Cl)cc2[C@H]1O.
What is the InChIKey of (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UCGVHYJDMIEGIJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol?
(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 234.08 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 99909432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).