4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol

C9H11Cl2NO2 — CID 142586628

IUPAC4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
SMILESOc1ccc(Cl)cc1NC[C@H](O)CCl
InChIInChI=1S/C9H11Cl2NO2/c10-4-7(13)5-12-8-3-6(11)1-2-9(8)14/h1-3,7,12-14H,4-5H2/t7-/m1/s1
InChIKeyMQHZYLNSFOMODB-SSDOTTSWSA-N
MW236.10 g/mol
LogP2.06
Rot. Bonds4

About 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol

4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol (PubChem CID 142586628) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
PubChem CID142586628
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
SMILESOc1ccc(Cl)cc1NC[C@H](O)CCl
InChIInChI=1S/C9H11Cl2NO2/c10-4-7(13)5-12-8-3-6(11)1-2-9(8)14/h1-3,7,12-14H,4-5H2/t7-/m1/s1
InChIKeyMQHZYLNSFOMODB-SSDOTTSWSA-N
XLogP2.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.06
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

1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
CID 126847001
2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636495
1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol
CID 168637427
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
4-chloro-2-(ethylamino)phenol
CID 15847212
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
4-[(3-chloro-2-hydroxypropyl)amino]naphthalen-1-ol
CID 168636995
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
CID 168640962
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
CID 168640691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol?
The IUPAC name of 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol (CID 142586628) is 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol.
What is the SMILES notation for 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol?
The canonical SMILES for 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol is Oc1ccc(Cl)cc1NC[C@H](O)CCl.
What is the InChIKey of 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol?
The InChIKey is MQHZYLNSFOMODB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c10-4-7(13)5-12-8-3-6(11)1-2-9(8)14/h1-3,7,12-14H,4-5H2/t7-/m1/s1.
What are the key properties of 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol?
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol has a molecular weight of 236.10 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol is sourced from PubChem (CID 142586628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).