(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol

C17H15Cl2NO2 — CID 155083992

IUPAC(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
SMILESO[C@H]1CCOC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C17H15Cl2NO2/c18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)20(14)16-9-22-6-5-17(16)21/h1-4,7-8,16-17,21H,5-6,9H2/t16-,17-/m0/s1
InChIKeyGFTBLNABYLJBNA-IRXDYDNUSA-N
MW336.22 g/mol
LogP4.42
Rot. Bonds1

About (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol

(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol (PubChem CID 155083992) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
PubChem CID155083992
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
SMILESO[C@H]1CCOC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C17H15Cl2NO2/c18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)20(14)16-9-22-6-5-17(16)21/h1-4,7-8,16-17,21H,5-6,9H2/t16-,17-/m0/s1
InChIKeyGFTBLNABYLJBNA-IRXDYDNUSA-N
XLogP4.42
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-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

(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
CID 126530816
3-(5-chloro-2-ethenyl-3-methylindol-1-yl)piperidin-4-ol
CID 123823024
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dichlorocarbazol-9-yl)azepan-2-ol
CID 175028374
3,6-dichloro-9-[(4S)-3-fluoropiperidin-4-yl]carbazole
CID 144664156
(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol
CID 76901571
4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide
CID 155061442
tert-butyl (3R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxyazepane-1-carboxylate
CID 129133337
(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol
CID 126673581
(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol
CID 91777937
(3R,4R,5S)-3-[[(cyclopropylmethylamino)-oxo-[4-(trifluoromethoxy)phenyl]-λ6-sulfanylidene]amino]-5-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
CID 175824544
(3R,4S,5S)-3-[[N-(cyclopropylmethyl)-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
CID 166592415

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol?
The IUPAC name of (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol (CID 155083992) is (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol.
What is the SMILES notation for (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol?
The canonical SMILES for (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol is O[C@H]1CCOC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol?
The InChIKey is GFTBLNABYLJBNA-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)20(14)16-9-22-6-5-17(16)21/h1-4,7-8,16-17,21H,5-6,9H2/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol?
(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol has a molecular weight of 336.22 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol is sourced from PubChem (CID 155083992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).