(4-amino-2-chlorophenyl)methanol

C7H8ClNO — CID 25235954

IUPAC(4-amino-2-chlorophenyl)methanol
SMILESNc1ccc(CO)c(Cl)c1
InChIInChI=1S/C7H8ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4,9H2
InChIKeyBCHGDLUQXWGCFO-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.41
Rot. Bonds1

About (4-amino-2-chlorophenyl)methanol

(4-amino-2-chlorophenyl)methanol (PubChem CID 25235954) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)methanol
PubChem CID25235954
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name(4-amino-2-chlorophenyl)methanol
SMILESNc1ccc(CO)c(Cl)c1
InChIInChI=1S/C7H8ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4,9H2
InChIKeyBCHGDLUQXWGCFO-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.41
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 (4-amino-2-chlorophenyl)methanol?
The IUPAC name of (4-amino-2-chlorophenyl)methanol (CID 25235954) is (4-amino-2-chlorophenyl)methanol.
What is the SMILES notation for (4-amino-2-chlorophenyl)methanol?
The canonical SMILES for (4-amino-2-chlorophenyl)methanol is Nc1ccc(CO)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)methanol?
The InChIKey is BCHGDLUQXWGCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4,9H2.
What are the key properties of (4-amino-2-chlorophenyl)methanol?
(4-amino-2-chlorophenyl)methanol has a molecular weight of 157.60 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)methanol is sourced from PubChem (CID 25235954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).