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

C28H27NO3 — CID 135707503

IUPAC2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol
SMILESC=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccccc1O)c1ccccn1
InChIInChI=1S/C28H27NO3/c1-21(20-32-24-10-3-2-4-11-24)25-16-18-31-28(25)15-14-22(26-12-7-8-17-29-26)19-23-9-5-6-13-27(23)30/h2-13,16-17,19,28,30H,1,14-15,18,20H2/b22-19-
InChIKeyCICHCKDGFNZOEV-QOCHGBHMSA-N
MW425.53 g/mol
LogP6.07
Rot. Bonds9

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

2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol (PubChem CID 135707503) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol.

Molecular Properties

Compound Name2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol
PubChem CID135707503
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol
SMILESC=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccccc1O)c1ccccn1
InChIInChI=1S/C28H27NO3/c1-21(20-32-24-10-3-2-4-11-24)25-16-18-31-28(25)15-14-22(26-12-7-8-17-29-26)19-23-9-5-6-13-27(23)30/h2-13,16-17,19,28,30H,1,14-15,18,20H2/b22-19-
InChIKeyCICHCKDGFNZOEV-QOCHGBHMSA-N
XLogP6.07
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-pyridin-2-ylbut-1-enyl]phenol?
The IUPAC name of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol (CID 135707503) is 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-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-pyridin-2-ylbut-1-enyl]phenol?
The canonical SMILES for 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol is C=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccccc1O)c1ccccn1.
What is the InChIKey of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol?
The InChIKey is CICHCKDGFNZOEV-QOCHGBHMSA-N. The full InChI is InChI=1S/C28H27NO3/c1-21(20-32-24-10-3-2-4-11-24)25-16-18-31-28(25)15-14-22(26-12-7-8-17-29-26)19-23-9-5-6-13-27(23)30/h2-13,16-17,19,28,30H,1,14-15,18,20H2/b22-19-.
What are the key properties of 2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol?
2-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]phenol has a molecular weight of 425.53 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 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-pyridin-2-ylbut-1-enyl]phenol is sourced from PubChem (CID 135707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).