2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol

C25H23ClN2O3 — CID 44535827

IUPAC2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol
SMILESCN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)o2)cc1
InChIInChI=1S/C25H23ClN2O3/c1-28(2)13-14-30-20-6-3-18(4-7-20)24-16-21(17-9-11-27-12-10-17)25(31-24)19-5-8-22(26)23(29)15-19/h3-12,15-16,29H,13-14H2,1-2H3
InChIKeyHZPFYQOXKVEQOW-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.97
Rot. Bonds7

About 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol

2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol (PubChem CID 44535827) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol
PubChem CID44535827
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol
SMILESCN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)o2)cc1
InChIInChI=1S/C25H23ClN2O3/c1-28(2)13-14-30-20-6-3-18(4-7-20)24-16-21(17-9-11-27-12-10-17)25(31-24)19-5-8-22(26)23(29)15-19/h3-12,15-16,29H,13-14H2,1-2H3
InChIKeyHZPFYQOXKVEQOW-UHFFFAOYSA-N
XLogP5.97
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol?
The IUPAC name of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol (CID 44535827) is 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol.
What is the SMILES notation for 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol?
The canonical SMILES for 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol is CN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)o2)cc1.
What is the InChIKey of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol?
The InChIKey is HZPFYQOXKVEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-28(2)13-14-30-20-6-3-18(4-7-20)24-16-21(17-9-11-27-12-10-17)25(31-24)19-5-8-22(26)23(29)15-19/h3-12,15-16,29H,13-14H2,1-2H3.
What are the key properties of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol?
2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol has a molecular weight of 434.92 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]phenol is sourced from PubChem (CID 44535827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).