1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol

C10H14ClNO3 — CID 171893574

IUPAC1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
SMILESNc1cc(O)ccc1C(O)C(O)CCCl
InChIInChI=1S/C10H14ClNO3/c11-4-3-9(14)10(15)7-2-1-6(13)5-8(7)12/h1-2,5,9-10,13-15H,3-4,12H2
InChIKeyYRBQKBICKVPADR-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.00
Rot. Bonds4

About 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol

1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol (PubChem CID 171893574) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
PubChem CID171893574
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
SMILESNc1cc(O)ccc1C(O)C(O)CCCl
InChIInChI=1S/C10H14ClNO3/c11-4-3-9(14)10(15)7-2-1-6(13)5-8(7)12/h1-2,5,9-10,13-15H,3-4,12H2
InChIKeyYRBQKBICKVPADR-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877449
3-amino-4-(1-hydroxy-2-methylpropyl)phenol
CID 105439440
1-(4-amino-2,5-dichlorophenyl)-4-chlorobutane-1,2-diol
CID 171893875
1-(3-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
CID 171893590
1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171893871
1-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
2-(4-chloro-1,2-dihydroxybutyl)benzamide
CID 171894927
1-(2-amino-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873797
4-chloro-1-[4-chloro-2-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171893685
1-(2-amino-3,5-dimethylphenyl)-4-chlorobutane-1,2-diol
CID 171893848
1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893444
1-(2-bromo-4-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171894881

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol?
The IUPAC name of 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol (CID 171893574) is 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol.
What is the SMILES notation for 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol?
The canonical SMILES for 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol is Nc1cc(O)ccc1C(O)C(O)CCCl.
What is the InChIKey of 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol?
The InChIKey is YRBQKBICKVPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c11-4-3-9(14)10(15)7-2-1-6(13)5-8(7)12/h1-2,5,9-10,13-15H,3-4,12H2.
What are the key properties of 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol?
1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol has a molecular weight of 231.68 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol is sourced from PubChem (CID 171893574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).