4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol

C19H18ClNO2 — CID 2865666

IUPAC4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
SMILESOc1ccc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18ClNO2/c20-16-7-9-19(22)17(14-16)18(21-10-12-23-13-11-21)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,18,22H,10-13H2
InChIKeyAEMGXLDTHKNMOY-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.47
Rot. Bonds2

About 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol

4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol (PubChem CID 2865666) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
PubChem CID2865666
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
SMILESOc1ccc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18ClNO2/c20-16-7-9-19(22)17(14-16)18(21-10-12-23-13-11-21)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,18,22H,10-13H2
InChIKeyAEMGXLDTHKNMOY-UHFFFAOYSA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The IUPAC name of 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol (CID 2865666) is 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol.
What is the SMILES notation for 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The canonical SMILES for 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol is Oc1ccc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The InChIKey is AEMGXLDTHKNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-16-7-9-19(22)17(14-16)18(21-10-12-23-13-11-21)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,18,22H,10-13H2.
What are the key properties of 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol has a molecular weight of 327.81 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol is sourced from PubChem (CID 2865666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).