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

C30H31NO4 — CID 10344612

IUPAC4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3
InChIKeyTUWAJCMXXFZLOS-UHFFFAOYSA-N
MW469.58 g/mol
LogP6.86
Rot. Bonds7

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

4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol (PubChem CID 10344612) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol
PubChem CID10344612
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Name4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3
InChIKeyTUWAJCMXXFZLOS-UHFFFAOYSA-N
XLogP6.86
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol with MolForge

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Related Compounds

Pitofenone
CID 121098
6-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 10072818
Trioxifene
CID 50139
3-[2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
CID 10683266
4-[2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
CID 10754304
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
5-Hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione
CID 10227720
1-{7-Hydroxy-5-methyl-10-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-phenanthren-2-yl}-ethanone
CID 10275916
4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-benzoic acid methyl ester
CID 44271504

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol (CID 10344612) is 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol is Cc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
The InChIKey is TUWAJCMXXFZLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3.
What are the key properties of 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol has a molecular weight of 469.58 g/mol, XLogP of 6.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol is sourced from PubChem (CID 10344612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).