2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol

C16H13NO — CID 160702098

IUPAC2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol
SMILESC#Cc1ccccc1/N=C/c1cc(C)ccc1O
InChIInChI=1S/C16H13NO/c1-3-13-6-4-5-7-15(13)17-11-14-10-12(2)8-9-16(14)18/h1,4-11,18H,2H3/b17-11+
InChIKeyDFTRNSIPCAARLP-GZTJUZNOSA-N
MW235.29 g/mol
LogP3.43
Rot. Bonds2

About 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol

2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol (PubChem CID 160702098) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol
PubChem CID160702098
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol
SMILESC#Cc1ccccc1/N=C/c1cc(C)ccc1O
InChIInChI=1S/C16H13NO/c1-3-13-6-4-5-7-15(13)17-11-14-10-12(2)8-9-16(14)18/h1,4-11,18H,2H3/b17-11+
InChIKeyDFTRNSIPCAARLP-GZTJUZNOSA-N
XLogP3.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
CID 2840139
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
CID 4191930
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile
CID 137086335
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol
CID 4010995
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol (CID 160702098) is 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol is C#Cc1ccccc1/N=C/c1cc(C)ccc1O.
What is the InChIKey of 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol?
The InChIKey is DFTRNSIPCAARLP-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13NO/c1-3-13-6-4-5-7-15(13)17-11-14-10-12(2)8-9-16(14)18/h1,4-11,18H,2H3/b17-11+.
What are the key properties of 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol?
2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol has a molecular weight of 235.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 160702098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).