2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol

C21H16ClNO — CID 69057844

IUPAC2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol
SMILESOCCc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H16ClNO/c22-20-9-6-18(7-10-20)19-8-12-21(23-15-19)11-5-16-1-3-17(4-2-16)13-14-24/h1-4,6-10,12,15,24H,13-14H2
InChIKeySSNVJDMMYKOICF-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.34
Rot. Bonds3

About 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol

2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol (PubChem CID 69057844) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol
PubChem CID69057844
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol
SMILESOCCc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H16ClNO/c22-20-9-6-18(7-10-20)19-8-12-21(23-15-19)11-5-16-1-3-17(4-2-16)13-14-24/h1-4,6-10,12,15,24H,13-14H2
InChIKeySSNVJDMMYKOICF-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol?
The IUPAC name of 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol (CID 69057844) is 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol is OCCc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol?
The InChIKey is SSNVJDMMYKOICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-20-9-6-18(7-10-20)19-8-12-21(23-15-19)11-5-16-1-3-17(4-2-16)13-14-24/h1-4,6-10,12,15,24H,13-14H2.
What are the key properties of 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol?
2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol has a molecular weight of 333.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol is sourced from PubChem (CID 69057844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).