4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol

C32H35NO4 — CID 10323601

IUPAC4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3
InChIKeyJGJPGWCZPKIATB-UHFFFAOYSA-N
MW497.64 g/mol
LogP7.51
Rot. Bonds9

About 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol

4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol (PubChem CID 10323601) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol
PubChem CID10323601
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC Name4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3
InChIKeyJGJPGWCZPKIATB-UHFFFAOYSA-N
XLogP7.51
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 10072818
Trioxifene
CID 50139
4-{5-(4-Hydroxy-phenyl)-4-methyl-3-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 10344612
3-[2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
CID 10683266
4-{3-(4-Hydroxy-phenyl)-4-ethyl-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 44319061
4-[5-(4-Hydroxy-phenyl)-4-ethyl-3-(4-methoxy-phenyl)-furan-2-yl]-phenol
CID 44319062
4-{3-Ethyl-5-phenyl-4-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 44319097
7-Hydroxy-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-chromen-4-one
CID 9958368
1-{7-Hydroxy-5-methyl-10-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-phenanthren-2-yl}-2-methyl-propan-1-one
CID 10184413
5-Hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione
CID 10227720
4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-benzoic acid methyl ester
CID 44271504
4-[3-[4-[Bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]benzoic acid ethyl ester hydrochloride
CID 45259377

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol (CID 10323601) is 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol is CCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol?
The InChIKey is JGJPGWCZPKIATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3.
What are the key properties of 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol?
4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol has a molecular weight of 497.64 g/mol, XLogP of 7.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propylfuran-2-yl]phenol is sourced from PubChem (CID 10323601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).