(3,5-dichloro-2-methoxyanilino)methanol

C8H9Cl2NO2 — CID 115228694

IUPAC(3,5-dichloro-2-methoxyanilino)methanol
SMILESCOc1c(Cl)cc(Cl)cc1NCO
InChIInChI=1S/C8H9Cl2NO2/c1-13-8-6(10)2-5(9)3-7(8)11-4-12/h2-3,11-12H,4H2,1H3
InChIKeySHVOBFIFROBZKM-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.36
Rot. Bonds3

About (3,5-dichloro-2-methoxyanilino)methanol

(3,5-dichloro-2-methoxyanilino)methanol (PubChem CID 115228694) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is (3,5-dichloro-2-methoxyanilino)methanol.

Molecular Properties

Compound Name(3,5-dichloro-2-methoxyanilino)methanol
PubChem CID115228694
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name(3,5-dichloro-2-methoxyanilino)methanol
SMILESCOc1c(Cl)cc(Cl)cc1NCO
InChIInChI=1S/C8H9Cl2NO2/c1-13-8-6(10)2-5(9)3-7(8)11-4-12/h2-3,11-12H,4H2,1H3
InChIKeySHVOBFIFROBZKM-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
5-chloro-N-(chloromethyl)-2-methoxy-3-methylaniline
CID 115262707
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
3,5-dichloro-2-methoxyaniline
CID 11217747
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
2-(3,5-dichloro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82296172

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methoxyanilino)methanol?
The IUPAC name of (3,5-dichloro-2-methoxyanilino)methanol (CID 115228694) is (3,5-dichloro-2-methoxyanilino)methanol.
What is the SMILES notation for (3,5-dichloro-2-methoxyanilino)methanol?
The canonical SMILES for (3,5-dichloro-2-methoxyanilino)methanol is COc1c(Cl)cc(Cl)cc1NCO.
What is the InChIKey of (3,5-dichloro-2-methoxyanilino)methanol?
The InChIKey is SHVOBFIFROBZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2/c1-13-8-6(10)2-5(9)3-7(8)11-4-12/h2-3,11-12H,4H2,1H3.
What are the key properties of (3,5-dichloro-2-methoxyanilino)methanol?
(3,5-dichloro-2-methoxyanilino)methanol has a molecular weight of 222.07 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methoxyanilino)methanol is sourced from PubChem (CID 115228694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).