4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol

C23H23NO3 — CID 67426758

IUPAC4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)N2CCCC2)cc1
InChIInChI=1S/C23H23NO3/c25-20-9-3-17(4-10-20)23(24-15-1-2-16-24,18-5-11-21(26)12-6-18)19-7-13-22(27)14-8-19/h3-14,25-27H,1-2,15-16H2
InChIKeyUCDSEVCLMXFYKQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.19
Rot. Bonds4

About 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol

4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol (PubChem CID 67426758) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol.

Molecular Properties

Compound Name4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol
PubChem CID67426758
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)N2CCCC2)cc1
InChIInChI=1S/C23H23NO3/c25-20-9-3-17(4-10-20)23(24-15-1-2-16-24,18-5-11-21(26)12-6-18)19-7-13-22(27)14-8-19/h3-14,25-27H,1-2,15-16H2
InChIKeyUCDSEVCLMXFYKQ-UHFFFAOYSA-N
XLogP4.19
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol?
The IUPAC name of 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol (CID 67426758) is 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol.
What is the SMILES notation for 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol?
The canonical SMILES for 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol is Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)N2CCCC2)cc1.
What is the InChIKey of 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol?
The InChIKey is UCDSEVCLMXFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-20-9-3-17(4-10-20)23(24-15-1-2-16-24,18-5-11-21(26)12-6-18)19-7-13-22(27)14-8-19/h3-14,25-27H,1-2,15-16H2.
What are the key properties of 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol?
4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol has a molecular weight of 361.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-hydroxyphenyl)-pyrrolidin-1-ylmethyl]phenol is sourced from PubChem (CID 67426758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).