[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol

C22H18ClNO — CID 69071295

IUPAC[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol
SMILESOCc1ccc(CCC#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C22H18ClNO/c23-21-12-9-19(10-13-21)20-11-14-22(24-15-20)4-2-1-3-17-5-7-18(16-25)8-6-17/h5-15,25H,1,3,16H2
InChIKeyAJOGELGDOGQNKV-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.88
Rot. Bonds4

About [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol

[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol (PubChem CID 69071295) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol
PubChem CID69071295
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol
SMILESOCc1ccc(CCC#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C22H18ClNO/c23-21-12-9-19(10-13-21)20-11-14-22(24-15-20)4-2-1-3-17-5-7-18(16-25)8-6-17/h5-15,25H,1,3,16H2
InChIKeyAJOGELGDOGQNKV-UHFFFAOYSA-N
XLogP4.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]ethanol
CID 69057844
5-(4-chlorophenyl)-2-[4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]but-1-ynyl]pyridine
CID 10002713
1-[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]-2-pyridin-2-ylpropan-2-amine
CID 69075493
5-(3,4-dichlorophenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine
CID 10342909
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
(E)-3-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]-2-methylprop-2-en-1-ol
CID 69362652
5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine
CID 173211366
5-(4-chlorophenyl)-2-[2-[4-[[(2S)-pyrrolidin-2-yl]methyl]phenyl]ethynyl]pyridine
CID 173162861
[4-(2-methylpyrimidin-5-yl)phenyl]methanol
CID 131552849
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
CID 68816989
4-[[3-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-methylphenoxy]propylamino]methyl]phenol
CID 142782368

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol?
The IUPAC name of [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol (CID 69071295) is [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol?
The canonical SMILES for [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol is OCc1ccc(CCC#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol?
The InChIKey is AJOGELGDOGQNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c23-21-12-9-19(10-13-21)20-11-14-22(24-15-20)4-2-1-3-17-5-7-18(16-25)8-6-17/h5-15,25H,1,3,16H2.
What are the key properties of [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol?
[4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol has a molecular weight of 347.85 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-(4-chlorophenyl)-2-pyridinyl]but-3-ynyl]phenyl]methanol is sourced from PubChem (CID 69071295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).