2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol

C11H13Cl2NO2 — CID 107679147

IUPAC2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol
SMILESCC1OCCC1Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-6-10(2-3-16-6)14-7-4-8(12)11(15)9(13)5-7/h4-6,10,14-15H,2-3H2,1H3
InChIKeyRAPYJIAEQQUGHX-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.29
Rot. Bonds2

About 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol

2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol (PubChem CID 107679147) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol
PubChem CID107679147
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol
SMILESCC1OCCC1Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-6-10(2-3-16-6)14-7-4-8(12)11(15)9(13)5-7/h4-6,10,14-15H,2-3H2,1H3
InChIKeyRAPYJIAEQQUGHX-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol (CID 107679147) is 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol is CC1OCCC1Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol?
The InChIKey is RAPYJIAEQQUGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-6-10(2-3-16-6)14-7-4-8(12)11(15)9(13)5-7/h4-6,10,14-15H,2-3H2,1H3.
What are the key properties of 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol?
2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol has a molecular weight of 262.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol is sourced from PubChem (CID 107679147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).