4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol

C23H18FNO3 — CID 71462585

IUPAC4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
SMILESCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C23H18FNO3/c1-25-22(19-11-10-18(28)12-21(19)24)13-20(14-2-6-16(26)7-3-14)23(25)15-4-8-17(27)9-5-15/h2-13,26-28H,1H3
InChIKeyXOZVRDQYDBYITO-UHFFFAOYSA-N
MW375.40 g/mol
LogP5.28
Rot. Bonds3

About 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol

4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol (PubChem CID 71462585) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
PubChem CID71462585
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
SMILESCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C23H18FNO3/c1-25-22(19-11-10-18(28)12-21(19)24)13-20(14-2-6-16(26)7-3-14)23(25)15-4-8-17(27)9-5-15/h2-13,26-28H,1H3
InChIKeyXOZVRDQYDBYITO-UHFFFAOYSA-N
XLogP5.28
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 55.28
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-methylpyrrol-2-yl]-3-fluorophenol?
The IUPAC name of 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol (CID 71462585) is 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol.
What is the SMILES notation for 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol?
The canonical SMILES for 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol is Cn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol?
The InChIKey is XOZVRDQYDBYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-25-22(19-11-10-18(28)12-21(19)24)13-20(14-2-6-16(26)7-3-14)23(25)15-4-8-17(27)9-5-15/h2-13,26-28H,1H3.
What are the key properties of 4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol?
4-[4,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol has a molecular weight of 375.40 g/mol, XLogP of 5.28, 3 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-methylpyrrol-2-yl]-3-fluorophenol is sourced from PubChem (CID 71462585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).