2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol

C19H17Cl2NO2 — CID 2866159

IUPAC2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H17Cl2NO2/c20-15-12-16(19(23)17(21)13-15)18(22-8-10-24-11-9-22)7-6-14-4-2-1-3-5-14/h1-5,12-13,18,23H,8-11H2
InChIKeyQGHJGOPNFRNBTB-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.12
Rot. Bonds2

About 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol

2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol (PubChem CID 2866159) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
PubChem CID2866159
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H17Cl2NO2/c20-15-12-16(19(23)17(21)13-15)18(22-8-10-24-11-9-22)7-6-14-4-2-1-3-5-14/h1-5,12-13,18,23H,8-11H2
InChIKeyQGHJGOPNFRNBTB-UHFFFAOYSA-N
XLogP4.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.12
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 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The IUPAC name of 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol (CID 2866159) is 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol is Oc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The InChIKey is QGHJGOPNFRNBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-15-12-16(19(23)17(21)13-15)18(22-8-10-24-11-9-22)7-6-14-4-2-1-3-5-14/h1-5,12-13,18,23H,8-11H2.
What are the key properties of 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol has a molecular weight of 362.26 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol is sourced from PubChem (CID 2866159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).