3-methyl-4-[(phenylmethoxyamino)methyl]phenol

C15H17NO2 — CID 82622246

IUPAC3-methyl-4-[(phenylmethoxyamino)methyl]phenol
SMILESCc1cc(O)ccc1CNOCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-9-15(17)8-7-14(12)10-16-18-11-13-5-3-2-4-6-13/h2-9,16-17H,10-11H2,1H3
InChIKeyMYEPQXFWHWRLNS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.92
Rot. Bonds5

About 3-methyl-4-[(phenylmethoxyamino)methyl]phenol

3-methyl-4-[(phenylmethoxyamino)methyl]phenol (PubChem CID 82622246) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-4-[(phenylmethoxyamino)methyl]phenol.

Molecular Properties

Compound Name3-methyl-4-[(phenylmethoxyamino)methyl]phenol
PubChem CID82622246
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-methyl-4-[(phenylmethoxyamino)methyl]phenol
SMILESCc1cc(O)ccc1CNOCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-9-15(17)8-7-14(12)10-16-18-11-13-5-3-2-4-6-13/h2-9,16-17H,10-11H2,1H3
InChIKeyMYEPQXFWHWRLNS-UHFFFAOYSA-N
XLogP2.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(phenylmethoxyamino)methyl]phenol?
The IUPAC name of 3-methyl-4-[(phenylmethoxyamino)methyl]phenol (CID 82622246) is 3-methyl-4-[(phenylmethoxyamino)methyl]phenol.
What is the SMILES notation for 3-methyl-4-[(phenylmethoxyamino)methyl]phenol?
The canonical SMILES for 3-methyl-4-[(phenylmethoxyamino)methyl]phenol is Cc1cc(O)ccc1CNOCc1ccccc1.
What is the InChIKey of 3-methyl-4-[(phenylmethoxyamino)methyl]phenol?
The InChIKey is MYEPQXFWHWRLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-9-15(17)8-7-14(12)10-16-18-11-13-5-3-2-4-6-13/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 3-methyl-4-[(phenylmethoxyamino)methyl]phenol?
3-methyl-4-[(phenylmethoxyamino)methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(phenylmethoxyamino)methyl]phenol is sourced from PubChem (CID 82622246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).