[3-(2-amino-6-methylphenoxy)phenyl]methanol

C14H15NO2 — CID 115550948

IUPAC[3-(2-amino-6-methylphenoxy)phenyl]methanol
SMILESCc1cccc(N)c1Oc1cccc(CO)c1
InChIInChI=1S/C14H15NO2/c1-10-4-2-7-13(15)14(10)17-12-6-3-5-11(8-12)9-16/h2-8,16H,9,15H2,1H3
InChIKeyBUZBXJUJCMPQNX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.86
Rot. Bonds3

About [3-(2-amino-6-methylphenoxy)phenyl]methanol

[3-(2-amino-6-methylphenoxy)phenyl]methanol (PubChem CID 115550948) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(2-amino-6-methylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-amino-6-methylphenoxy)phenyl]methanol
PubChem CID115550948
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name[3-(2-amino-6-methylphenoxy)phenyl]methanol
SMILESCc1cccc(N)c1Oc1cccc(CO)c1
InChIInChI=1S/C14H15NO2/c1-10-4-2-7-13(15)14(10)17-12-6-3-5-11(8-12)9-16/h2-8,16H,9,15H2,1H3
InChIKeyBUZBXJUJCMPQNX-UHFFFAOYSA-N
XLogP2.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-methylphenoxy)phenyl]methanol?
The IUPAC name of [3-(2-amino-6-methylphenoxy)phenyl]methanol (CID 115550948) is [3-(2-amino-6-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-amino-6-methylphenoxy)phenyl]methanol?
The canonical SMILES for [3-(2-amino-6-methylphenoxy)phenyl]methanol is Cc1cccc(N)c1Oc1cccc(CO)c1.
What is the InChIKey of [3-(2-amino-6-methylphenoxy)phenyl]methanol?
The InChIKey is BUZBXJUJCMPQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-4-2-7-13(15)14(10)17-12-6-3-5-11(8-12)9-16/h2-8,16H,9,15H2,1H3.
What are the key properties of [3-(2-amino-6-methylphenoxy)phenyl]methanol?
[3-(2-amino-6-methylphenoxy)phenyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 115550948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).