4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride

C29H34ClNO4 — CID 162665955

IUPAC4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
SMILESCl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C29H33NO4.ClH/c31-19-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(32)13-9-24)25-10-14-27(15-11-25)34-22-18-30-16-20-33-21-17-30;/h1-3,5-6,8-15,31-32H,4,7,16-22H2;1H/b29-28-;
InChIKeyUSEJDNIKJAVSOH-FJBFXRHMSA-N
MW496.05 g/mol
LogP5.26
Rot. Bonds10

About 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride

4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride (PubChem CID 162665955) has the molecular formula C29H34ClNO4 and a molecular weight of 496.05 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
PubChem CID162665955
Molecular FormulaC29H34ClNO4
Molecular Weight496.05 g/mol
Exact Mass495.22
IUPAC Name4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
SMILESCl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C29H33NO4.ClH/c31-19-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(32)13-9-24)25-10-14-27(15-11-25)34-22-18-30-16-20-33-21-17-30;/h1-3,5-6,8-15,31-32H,4,7,16-22H2;1H/b29-28-;
InChIKeyUSEJDNIKJAVSOH-FJBFXRHMSA-N
XLogP5.26
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.05
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride?
The IUPAC name of 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride (CID 162665955) is 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride?
The canonical SMILES for 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride is Cl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride?
The InChIKey is USEJDNIKJAVSOH-FJBFXRHMSA-N. The full InChI is InChI=1S/C29H33NO4.ClH/c31-19-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(32)13-9-24)25-10-14-27(15-11-25)34-22-18-30-16-20-33-21-17-30;/h1-3,5-6,8-15,31-32H,4,7,16-22H2;1H/b29-28-;.
What are the key properties of 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride?
4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride has a molecular weight of 496.05 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride is sourced from PubChem (CID 162665955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).