4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

C34H45NO3 — CID 122180157

IUPAC4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNCCCCCCCCCCO)cc1)c1ccccc1
InChIInChI=1S/C34H45NO3/c1-2-33(28-14-10-9-11-15-28)34(29-16-20-31(37)21-17-29)30-18-22-32(23-19-30)38-27-25-35-24-12-7-5-3-4-6-8-13-26-36/h9-11,14-23,35-37H,2-8,12-13,24-27H2,1H3/b34-33-
InChIKeyLBCAKVFMMKQNKX-YHZPTAEISA-N
MW515.74 g/mol
LogP7.84
Rot. Bonds18

About 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 122180157) has the molecular formula C34H45NO3 and a molecular weight of 515.74 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID122180157
Molecular FormulaC34H45NO3
Molecular Weight515.74 g/mol
Exact Mass515.34
IUPAC Name4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNCCCCCCCCCCO)cc1)c1ccccc1
InChIInChI=1S/C34H45NO3/c1-2-33(28-14-10-9-11-15-28)34(29-16-20-31(37)21-17-29)30-18-22-32(23-19-30)38-27-25-35-24-12-7-5-3-4-6-8-13-26-36/h9-11,14-23,35-37H,2-8,12-13,24-27H2,1H3/b34-33-
InChIKeyLBCAKVFMMKQNKX-YHZPTAEISA-N
XLogP7.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.74
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 122180157) is 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNCCCCCCCCCCO)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is LBCAKVFMMKQNKX-YHZPTAEISA-N. The full InChI is InChI=1S/C34H45NO3/c1-2-33(28-14-10-9-11-15-28)34(29-16-20-31(37)21-17-29)30-18-22-32(23-19-30)38-27-25-35-24-12-7-5-3-4-6-8-13-26-36/h9-11,14-23,35-37H,2-8,12-13,24-27H2,1H3/b34-33-.
What are the key properties of 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 515.74 g/mol, XLogP of 7.84, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(10-hydroxydecylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 122180157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).