4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol

C25H23NO3 — CID 71455440

IUPAC4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)cn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H23NO3/c1-2-3-23-24(17-4-10-20(27)11-5-17)16-26(19-8-14-22(29)15-9-19)25(23)18-6-12-21(28)13-7-18/h4-16,27-29H,2-3H2,1H3
InChIKeyPNANBVWJRCPYJB-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.88
Rot. Bonds5

About 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol

4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol (PubChem CID 71455440) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol.

Molecular Properties

Compound Name4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol
PubChem CID71455440
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)cn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H23NO3/c1-2-3-23-24(17-4-10-20(27)11-5-17)16-26(19-8-14-22(29)15-9-19)25(23)18-6-12-21(28)13-7-18/h4-16,27-29H,2-3H2,1H3
InChIKeyPNANBVWJRCPYJB-UHFFFAOYSA-N
XLogP5.88
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 ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Roxindole
CID 219050
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
ZK 119010
CID 130936
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
4-[2,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-3-yl]-3-fluorophenol
CID 71450113
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71453712
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol
CID 71453742
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71457266
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
3-[1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-pyridinyl]-1H-indol-5-ol
CID 9926502

Frequently Asked Questions

What is the IUPAC name of 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol?
The IUPAC name of 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol (CID 71455440) is 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol.
What is the SMILES notation for 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol?
The canonical SMILES for 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol is CCCc1c(-c2ccc(O)cc2)cn(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol?
The InChIKey is PNANBVWJRCPYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-3-23-24(17-4-10-20(27)11-5-17)16-26(19-8-14-22(29)15-9-19)25(23)18-6-12-21(28)13-7-18/h4-16,27-29H,2-3H2,1H3.
What are the key properties of 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol?
4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol has a molecular weight of 385.46 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,5-bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol is sourced from PubChem (CID 71455440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).