4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol

C25H23NO3 — CID 71457218

IUPAC4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
SMILESCCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H23NO3/c1-2-15-26-24(18-5-11-21(28)12-6-18)16-23(17-3-9-20(27)10-4-17)25(26)19-7-13-22(29)14-8-19/h3-14,16,27-29H,2,15H2,1H3
InChIKeySDRFDUIMSCSIFP-UHFFFAOYSA-N
MW385.46 g/mol
LogP6.02
Rot. Bonds5

About 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol

4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol (PubChem CID 71457218) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol.

Molecular Properties

Compound Name4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
PubChem CID71457218
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
SMILESCCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H23NO3/c1-2-15-26-24(18-5-11-21(28)12-6-18)16-23(17-3-9-20(27)10-4-17)25(26)19-7-13-22(29)14-8-19/h3-14,16,27-29H,2,15H2,1H3
InChIKeySDRFDUIMSCSIFP-UHFFFAOYSA-N
XLogP6.02
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol?
The IUPAC name of 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol (CID 71457218) is 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol.
What is the SMILES notation for 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol?
The canonical SMILES for 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol is CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol?
The InChIKey is SDRFDUIMSCSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-15-26-24(18-5-11-21(28)12-6-18)16-23(17-3-9-20(27)10-4-17)25(26)19-7-13-22(29)14-8-19/h3-14,16,27-29H,2,15H2,1H3.
What are the key properties of 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol?
4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol has a molecular weight of 385.46 g/mol, XLogP of 6.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol is sourced from PubChem (CID 71457218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).