(2-amino-4,5-dichlorophenyl)methanol

C7H7Cl2NO — CID 100613841

IUPAC(2-amino-4,5-dichlorophenyl)methanol
SMILESNc1cc(Cl)c(Cl)cc1CO
InChIInChI=1S/C7H7Cl2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2
InChIKeyYJOAFNZUPHEZSQ-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.07
Rot. Bonds1

About (2-amino-4,5-dichlorophenyl)methanol

(2-amino-4,5-dichlorophenyl)methanol (PubChem CID 100613841) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is (2-amino-4,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-4,5-dichlorophenyl)methanol
PubChem CID100613841
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name(2-amino-4,5-dichlorophenyl)methanol
SMILESNc1cc(Cl)c(Cl)cc1CO
InChIInChI=1S/C7H7Cl2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2
InChIKeyYJOAFNZUPHEZSQ-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dichlorophenyl)methanol?
The IUPAC name of (2-amino-4,5-dichlorophenyl)methanol (CID 100613841) is (2-amino-4,5-dichlorophenyl)methanol.
What is the SMILES notation for (2-amino-4,5-dichlorophenyl)methanol?
The canonical SMILES for (2-amino-4,5-dichlorophenyl)methanol is Nc1cc(Cl)c(Cl)cc1CO.
What is the InChIKey of (2-amino-4,5-dichlorophenyl)methanol?
The InChIKey is YJOAFNZUPHEZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2.
What are the key properties of (2-amino-4,5-dichlorophenyl)methanol?
(2-amino-4,5-dichlorophenyl)methanol has a molecular weight of 192.04 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dichlorophenyl)methanol is sourced from PubChem (CID 100613841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).