(2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol

C8H9ClFNO — CID 89253232

IUPAC(2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol
SMILESCc1c(N)c(CO)cc(Cl)c1F
InChIInChI=1S/C8H9ClFNO/c1-4-7(10)6(9)2-5(3-12)8(4)11/h2,12H,3,11H2,1H3
InChIKeyIESIXQUNPMCQOI-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.86
Rot. Bonds1

About (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol

(2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol (PubChem CID 89253232) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol
PubChem CID89253232
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name(2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol
SMILESCc1c(N)c(CO)cc(Cl)c1F
InChIInChI=1S/C8H9ClFNO/c1-4-7(10)6(9)2-5(3-12)8(4)11/h2,12H,3,11H2,1H3
InChIKeyIESIXQUNPMCQOI-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.86
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-5-chloro-4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol (CID 89253232) is (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol is Cc1c(N)c(CO)cc(Cl)c1F.
What is the InChIKey of (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol?
The InChIKey is IESIXQUNPMCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-4-7(10)6(9)2-5(3-12)8(4)11/h2,12H,3,11H2,1H3.
What are the key properties of (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol?
(2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol has a molecular weight of 189.62 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 89253232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).