2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol

C23H31NO3 — CID 13129495

IUPAC2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol
SMILESOCCC(CCCN1CCOCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c25-17-13-22(12-7-14-24-15-18-27-19-16-24)23(26,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22,25-26H,7,12-19H2
InChIKeyPVVFBQXMFFFNNF-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.03
Rot. Bonds9

About 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol

2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol (PubChem CID 13129495) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol
PubChem CID13129495
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol
SMILESOCCC(CCCN1CCOCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c25-17-13-22(12-7-14-24-15-18-27-19-16-24)23(26,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22,25-26H,7,12-19H2
InChIKeyPVVFBQXMFFFNNF-UHFFFAOYSA-N
XLogP3.03
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol (CID 13129495) is 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol is OCCC(CCCN1CCOCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol?
The InChIKey is PVVFBQXMFFFNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c25-17-13-22(12-7-14-24-15-18-27-19-16-24)23(26,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22,25-26H,7,12-19H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol?
2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol has a molecular weight of 369.51 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1,1-diphenylbutane-1,4-diol is sourced from PubChem (CID 13129495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).