2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol

C29H28O3 — CID 23833640

IUPAC2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol
SMILESC=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C29H28O3/c1-22(21-32-26-13-6-3-7-14-26)27-18-19-31-29(27)17-16-24(23-10-4-2-5-11-23)20-25-12-8-9-15-28(25)30/h2-15,18,20,29-30H,1,16-17,19,21H2/b24-20-
InChIKeyOUWSBUNSUDIOJK-GFMRDNFCSA-N
MW424.54 g/mol
LogP6.67
Rot. Bonds9

About 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol

2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol (PubChem CID 23833640) has the molecular formula C29H28O3 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol
PubChem CID23833640
Molecular FormulaC29H28O3
Molecular Weight424.54 g/mol
Exact Mass424.20
IUPAC Name2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol
SMILESC=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C29H28O3/c1-22(21-32-26-13-6-3-7-14-26)27-18-19-31-29(27)17-16-24(23-10-4-2-5-11-23)20-25-12-8-9-15-28(25)30/h2-15,18,20,29-30H,1,16-17,19,21H2/b24-20-
InChIKeyOUWSBUNSUDIOJK-GFMRDNFCSA-N
XLogP6.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol (CID 23833640) is 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol is C=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol?
The InChIKey is OUWSBUNSUDIOJK-GFMRDNFCSA-N. The full InChI is InChI=1S/C29H28O3/c1-22(21-32-26-13-6-3-7-14-26)27-18-19-31-29(27)17-16-24(23-10-4-2-5-11-23)20-25-12-8-9-15-28(25)30/h2-15,18,20,29-30H,1,16-17,19,21H2/b24-20-.
What are the key properties of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol?
2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol has a molecular weight of 424.54 g/mol, XLogP of 6.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 23833640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).