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

C27H27NO4 — CID 23775750

IUPAC[5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol
SMILESC=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccn1
InChIInChI=1S/C27H27NO4/c1-20(19-31-22-7-3-2-4-8-22)25-14-16-30-27(25)13-10-21(26-9-5-6-15-28-26)17-23-11-12-24(18-29)32-23/h2-9,11-12,14-15,17,27,29H,1,10,13,16,18-19H2/b21-17-
InChIKeyXMYAXGVNPBCMCW-FXBPSFAMSA-N
MW429.52 g/mol
LogP5.45
Rot. Bonds10

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

[5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol (PubChem CID 23775750) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol
PubChem CID23775750
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name[5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol
SMILESC=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccn1
InChIInChI=1S/C27H27NO4/c1-20(19-31-22-7-3-2-4-8-22)25-14-16-30-27(25)13-10-21(26-9-5-6-15-28-26)17-23-11-12-24(18-29)32-23/h2-9,11-12,14-15,17,27,29H,1,10,13,16,18-19H2/b21-17-
InChIKeyXMYAXGVNPBCMCW-FXBPSFAMSA-N
XLogP5.45
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
The IUPAC name of [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol (CID 23775750) is [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol is C=C(COc1ccccc1)C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccn1.
What is the InChIKey of [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
The InChIKey is XMYAXGVNPBCMCW-FXBPSFAMSA-N. The full InChI is InChI=1S/C27H27NO4/c1-20(19-31-22-7-3-2-4-8-22)25-14-16-30-27(25)13-10-21(26-9-5-6-15-28-26)17-23-11-12-24(18-29)32-23/h2-9,11-12,14-15,17,27,29H,1,10,13,16,18-19H2/b21-17-.
What are the key properties of [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
[5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol has a molecular weight of 429.52 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-4-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol is sourced from PubChem (CID 23775750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).