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

C31H33NO4 — CID 10480448

IUPAC4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3
InChIKeyOAJSYSKCXTXABR-UHFFFAOYSA-N
MW483.61 g/mol
LogP7.12
Rot. Bonds8

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

4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol (PubChem CID 10480448) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol
PubChem CID10480448
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Name4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3
InChIKeyOAJSYSKCXTXABR-UHFFFAOYSA-N
XLogP7.12
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
The IUPAC name of 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol (CID 10480448) is 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
The canonical SMILES for 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol is CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
The InChIKey is OAJSYSKCXTXABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3.
What are the key properties of 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol?
4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol has a molecular weight of 483.61 g/mol, XLogP of 7.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-5-(4-hydroxyphenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]furan-2-yl]phenol is sourced from PubChem (CID 10480448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).