2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol

C29H29NO4 — CID 15337706

IUPAC2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol
SMILESC=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C29H29NO4/c1-20(21-7-12-25(13-8-21)33-18-17-30-15-3-2-4-16-30)28-26-14-11-24(32)19-27(26)34-29(28)22-5-9-23(31)10-6-22/h5-14,19,31-32H,1-4,15-18H2
InChIKeyYHXVKXFTMFGHTH-UHFFFAOYSA-N
MW455.55 g/mol
LogP6.44
Rot. Bonds7

About 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol

2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol (PubChem CID 15337706) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol
PubChem CID15337706
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC Name2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol
SMILESC=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C29H29NO4/c1-20(21-7-12-25(13-8-21)33-18-17-30-15-3-2-4-16-30)28-26-14-11-24(32)19-27(26)34-29(28)22-5-9-23(31)10-6-22/h5-14,19,31-32H,1-4,15-18H2
InChIKeyYHXVKXFTMFGHTH-UHFFFAOYSA-N
XLogP6.44
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one
CID 10204938
bis([6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone);dihydrochloride
CID 173469458
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
[8-hydroxy-3-(4-hydroxyphenyl)-6H-isoindolo[2,1-a]indol-11-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932268
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;phosphoric acid
CID 87443248
ethane;[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;propane
CID 142962762
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone phosphate
CID 56928528
[2-(2-deuterio-4-hydroxyphenyl)-6-hydroxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 90895814
2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol;hydrochloride
CID 70272731
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;methanesulfonic acid
CID 87430017
3-(4-chlorophenyl)-7-hydroxy-4-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-2-one
CID 10184881

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol (CID 15337706) is 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol is C=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)oc2cc(O)ccc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol?
The InChIKey is YHXVKXFTMFGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO4/c1-20(21-7-12-25(13-8-21)33-18-17-30-15-3-2-4-16-30)28-26-14-11-24(32)19-27(26)34-29(28)22-5-9-23(31)10-6-22/h5-14,19,31-32H,1-4,15-18H2.
What are the key properties of 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol?
2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol has a molecular weight of 455.55 g/mol, XLogP of 6.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-[1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1-benzofuran-6-ol is sourced from PubChem (CID 15337706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).