4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol

C23H21NO — CID 170342763

IUPAC4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol
SMILESOc1ccc(CCNCC#Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO/c25-23-14-10-20(11-15-23)16-18-24-17-4-5-19-8-12-22(13-9-19)21-6-2-1-3-7-21/h1-3,6-15,24-25H,16-18H2
InChIKeyXUZHSKLLDCGQKG-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.24
Rot. Bonds5

About 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol

4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol (PubChem CID 170342763) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol
PubChem CID170342763
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol
SMILESOc1ccc(CCNCC#Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO/c25-23-14-10-20(11-15-23)16-18-24-17-4-5-19-8-12-22(13-9-19)21-6-2-1-3-7-21/h1-3,6-15,24-25H,16-18H2
InChIKeyXUZHSKLLDCGQKG-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol?
The IUPAC name of 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol (CID 170342763) is 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol is Oc1ccc(CCNCC#Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol?
The InChIKey is XUZHSKLLDCGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23-14-10-20(11-15-23)16-18-24-17-4-5-19-8-12-22(13-9-19)21-6-2-1-3-7-21/h1-3,6-15,24-25H,16-18H2.
What are the key properties of 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol?
4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol has a molecular weight of 327.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-phenylphenyl)prop-2-ynylamino]ethyl]phenol is sourced from PubChem (CID 170342763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).