4-[2-[4-(methylamino)phenyl]ethynyl]phenol

C15H13NO — CID 16659245

IUPAC4-[2-[4-(methylamino)phenyl]ethynyl]phenol
SMILESCNc1ccc(C#Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H13NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1H3
InChIKeyOAPVMXXRLKLWBL-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.83
Rot. Bonds1

About 4-[2-[4-(methylamino)phenyl]ethynyl]phenol

4-[2-[4-(methylamino)phenyl]ethynyl]phenol (PubChem CID 16659245) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[2-[4-(methylamino)phenyl]ethynyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(methylamino)phenyl]ethynyl]phenol
PubChem CID16659245
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name4-[2-[4-(methylamino)phenyl]ethynyl]phenol
SMILESCNc1ccc(C#Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H13NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1H3
InChIKeyOAPVMXXRLKLWBL-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylamino-4-methylphenol
CID 8428
4-[(E)-2-(4-Aminophenyl)ethenyl]phenol
CID 5375988
4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
4-(4-(Methylamino)styryl)phenol
CID 10013901
[11C]4-N-methylamino-4-hydroxystilbene
CID 5702297
Phenol, 4-[(phenylmethyl)amino]-, hydrochloride (1:1)
CID 16738613
2-(Anilinomethyl)phenol
CID 220804
4-Hydroxy-4'-methyldiphenylamine
CID 344299
2-(((4-Fluorophenyl)Amino)Methyl)Phenol
CID 855073
2-{[(2,4-Dimethylphenyl)amino]methyl}phenol
CID 292419

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(methylamino)phenyl]ethynyl]phenol?
The IUPAC name of 4-[2-[4-(methylamino)phenyl]ethynyl]phenol (CID 16659245) is 4-[2-[4-(methylamino)phenyl]ethynyl]phenol.
What is the SMILES notation for 4-[2-[4-(methylamino)phenyl]ethynyl]phenol?
The canonical SMILES for 4-[2-[4-(methylamino)phenyl]ethynyl]phenol is CNc1ccc(C#Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(methylamino)phenyl]ethynyl]phenol?
The InChIKey is OAPVMXXRLKLWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1H3.
What are the key properties of 4-[2-[4-(methylamino)phenyl]ethynyl]phenol?
4-[2-[4-(methylamino)phenyl]ethynyl]phenol has a molecular weight of 223.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(methylamino)phenyl]ethynyl]phenol is sourced from PubChem (CID 16659245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).