[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol

C24H28O3 — CID 23775754

IUPAC[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol
SMILESC=C(C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccc1)C(C)C
InChIInChI=1S/C24H28O3/c1-17(2)18(3)23-13-14-26-24(23)12-9-20(19-7-5-4-6-8-19)15-21-10-11-22(16-25)27-21/h4-8,10-11,13,15,17,24-25H,3,9,12,14,16H2,1-2H3/b20-15-
InChIKeyGJLIIOZPWZHCCG-HKWRFOASSA-N
MW364.49 g/mol
LogP5.63
Rot. Bonds8

About [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol

[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol (PubChem CID 23775754) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol
PubChem CID23775754
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol
SMILESC=C(C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccc1)C(C)C
InChIInChI=1S/C24H28O3/c1-17(2)18(3)23-13-14-26-24(23)12-9-20(19-7-5-4-6-8-19)15-21-10-11-22(16-25)27-21/h4-8,10-11,13,15,17,24-25H,3,9,12,14,16H2,1-2H3/b20-15-
InChIKeyGJLIIOZPWZHCCG-HKWRFOASSA-N
XLogP5.63
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol?
The IUPAC name of [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol (CID 23775754) is [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol is C=C(C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccc1)C(C)C.
What is the InChIKey of [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol?
The InChIKey is GJLIIOZPWZHCCG-HKWRFOASSA-N. The full InChI is InChI=1S/C24H28O3/c1-17(2)18(3)23-13-14-26-24(23)12-9-20(19-7-5-4-6-8-19)15-21-10-11-22(16-25)27-21/h4-8,10-11,13,15,17,24-25H,3,9,12,14,16H2,1-2H3/b20-15-.
What are the key properties of [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol?
[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol has a molecular weight of 364.49 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol is sourced from PubChem (CID 23775754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).