4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol

C25H35NO2 — CID 10691268

IUPAC4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol
SMILESCCCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C25H35NO2/c1-4-7-8-9-10-25(21-11-15-23(27)16-12-21)22-13-17-24(18-14-22)28-20-19-26(5-2)6-3/h10-18,27H,4-9,19-20H2,1-3H3/b25-10-
InChIKeySYZLPCRSJNBOTK-MRUKODCESA-N
MW381.56 g/mol
LogP6.12
Rot. Bonds12

About 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol

4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol (PubChem CID 10691268) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol
PubChem CID10691268
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol
SMILESCCCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C25H35NO2/c1-4-7-8-9-10-25(21-11-15-23(27)16-12-21)22-13-17-24(18-14-22)28-20-19-26(5-2)6-3/h10-18,27H,4-9,19-20H2,1-3H3/b25-10-
InChIKeySYZLPCRSJNBOTK-MRUKODCESA-N
XLogP6.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol (CID 10691268) is 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol is CCCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol?
The InChIKey is SYZLPCRSJNBOTK-MRUKODCESA-N. The full InChI is InChI=1S/C25H35NO2/c1-4-7-8-9-10-25(21-11-15-23(27)16-12-21)22-13-17-24(18-14-22)28-20-19-26(5-2)6-3/h10-18,27H,4-9,19-20H2,1-3H3/b25-10-.
What are the key properties of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol?
4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol has a molecular weight of 381.56 g/mol, XLogP of 6.12, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hept-1-enyl]phenol is sourced from PubChem (CID 10691268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).