2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol

C9H10Cl3NO2 — CID 168636495

IUPAC2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
SMILESOc1c(Cl)cc(Cl)cc1NCC(O)CCl
InChIInChI=1S/C9H10Cl3NO2/c10-3-6(14)4-13-8-2-5(11)1-7(12)9(8)15/h1-2,6,13-15H,3-4H2
InChIKeyFFRJPJCMYBZSAJ-UHFFFAOYSA-N
MW270.54 g/mol
LogP2.71
Rot. Bonds4

About 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol

2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol (PubChem CID 168636495) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
PubChem CID168636495
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Name2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
SMILESOc1c(Cl)cc(Cl)cc1NCC(O)CCl
InChIInChI=1S/C9H10Cl3NO2/c10-3-6(14)4-13-8-2-5(11)1-7(12)9(8)15/h1-2,6,13-15H,3-4H2
InChIKeyFFRJPJCMYBZSAJ-UHFFFAOYSA-N
XLogP2.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
CID 168640862
1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol
CID 168637427
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
CID 168640691
1-(5-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168640102
1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
CID 168636370
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
CID 168640962

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol (CID 168636495) is 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol is Oc1c(Cl)cc(Cl)cc1NCC(O)CCl.
What is the InChIKey of 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol?
The InChIKey is FFRJPJCMYBZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO2/c10-3-6(14)4-13-8-2-5(11)1-7(12)9(8)15/h1-2,6,13-15H,3-4H2.
What are the key properties of 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol?
2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol has a molecular weight of 270.54 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol is sourced from PubChem (CID 168636495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).