1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone

C17H17NO2 — CID 136760126

IUPAC1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone
SMILESCC(=O)c1cc(C)cc(/C=N/c2ccc(C)cc2)c1O
InChIInChI=1S/C17H17NO2/c1-11-4-6-15(7-5-11)18-10-14-8-12(2)9-16(13(3)19)17(14)20/h4-10,20H,1-3H3/b18-10+
InChIKeySHOBQFVZXXZXNH-VCHYOVAHSA-N
MW267.33 g/mol
LogP3.96
Rot. Bonds3

About 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone

1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone (PubChem CID 136760126) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone
PubChem CID136760126
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone
SMILESCC(=O)c1cc(C)cc(/C=N/c2ccc(C)cc2)c1O
InChIInChI=1S/C17H17NO2/c1-11-4-6-15(7-5-11)18-10-14-8-12(2)9-16(13(3)19)17(14)20/h4-10,20H,1-3H3/b18-10+
InChIKeySHOBQFVZXXZXNH-VCHYOVAHSA-N
XLogP3.96
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone (CID 136760126) is 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone is CC(=O)c1cc(C)cc(/C=N/c2ccc(C)cc2)c1O.
What is the InChIKey of 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone?
The InChIKey is SHOBQFVZXXZXNH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-6-15(7-5-11)18-10-14-8-12(2)9-16(13(3)19)17(14)20/h4-10,20H,1-3H3/b18-10+.
What are the key properties of 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone?
1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone is sourced from PubChem (CID 136760126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).