3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol

C14H12Cl4N2O2 — CID 102369727

IUPAC3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
SMILESN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](N)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C14H12Cl4N2O2/c15-7-1-5(21)2-8(16)11(7)13(19)14(20)12-9(17)3-6(22)4-10(12)18/h1-4,13-14,21-22H,19-20H2/t13-,14-/m0/s1
InChIKeyQFAANAZLFLSJEV-KBPBESRZSA-N
MW382.07 g/mol
LogP4.41
Rot. Bonds3

About 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol

3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol (PubChem CID 102369727) has the molecular formula C14H12Cl4N2O2 and a molecular weight of 382.07 g/mol. Its IUPAC name is 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
PubChem CID102369727
Molecular FormulaC14H12Cl4N2O2
Molecular Weight382.07 g/mol
Exact Mass379.97
IUPAC Name3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
SMILESN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](N)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C14H12Cl4N2O2/c15-7-1-5(21)2-8(16)11(7)13(19)14(20)12-9(17)3-6(22)4-10(12)18/h1-4,13-14,21-22H,19-20H2/t13-,14-/m0/s1
InChIKeyQFAANAZLFLSJEV-KBPBESRZSA-N
XLogP4.41
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.07
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol 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

3,5-dichloro-4-(1,2-diaminoethyl)phenol
CID 10100975
4-[(1S,2R)-1-amino-2-(2,6-dichloro-4-hydroxyphenyl)-2-(ethylamino)ethyl]-3,5-dichlorophenol
CID 10431669
3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide
CID 10100974
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
2-[(1R)-1-amino-2-hydroxypropyl]benzene-1,3,5-triol
CID 130605710
(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
CID 84810750
2-chloro-6-propan-2-ylbenzene-1,4-diol
CID 170276425
2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
CID 131173726
4-butan-2-yl-3-chloro-5-methylphenol;ethane
CID 169182138
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
CID 22720131
3-chloro-4,5-dimethylphenol
CID 5324739

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol (CID 102369727) is 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol is N[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](N)c1c(Cl)cc(O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is QFAANAZLFLSJEV-KBPBESRZSA-N. The full InChI is InChI=1S/C14H12Cl4N2O2/c15-7-1-5(21)2-8(16)11(7)13(19)14(20)12-9(17)3-6(22)4-10(12)18/h1-4,13-14,21-22H,19-20H2/t13-,14-/m0/s1.
What are the key properties of 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol?
3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 382.07 g/mol, XLogP of 4.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 102369727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).