(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol

C22H29NO3 — CID 6435722

IUPAC(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol
SMILESCCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)C(C)O
InChIInChI=1S/C22H29NO3/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19/h6-14,17-18,24H,4-5,15-16H2,1-3H3/b22-17+
InChIKeyYBMSPXHTBCHFJU-OQKWZONESA-N
MW355.48 g/mol
LogP4.21
Rot. Bonds10

About (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol

(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol (PubChem CID 6435722) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol
PubChem CID6435722
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol
SMILESCCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)C(C)O
InChIInChI=1S/C22H29NO3/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19/h6-14,17-18,24H,4-5,15-16H2,1-3H3/b22-17+
InChIKeyYBMSPXHTBCHFJU-OQKWZONESA-N
XLogP4.21
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol (CID 6435722) is (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol is CCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)C(C)O.
What is the InChIKey of (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol?
The InChIKey is YBMSPXHTBCHFJU-OQKWZONESA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19/h6-14,17-18,24H,4-5,15-16H2,1-3H3/b22-17+.
What are the key properties of (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol?
(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol has a molecular weight of 355.48 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 6435722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).