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

C23H18ClNO3 — CID 71450112

IUPAC4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol
SMILESCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3
InChIKeyUDDSDTZODJGTEZ-UHFFFAOYSA-N
MW391.85 g/mol
LogP5.80
Rot. Bonds3

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

4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol (PubChem CID 71450112) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol.

Molecular Properties

Compound Name4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol
PubChem CID71450112
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol
SMILESCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3
InChIKeyUDDSDTZODJGTEZ-UHFFFAOYSA-N
XLogP5.80
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol?
The IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol (CID 71450112) is 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol.
What is the SMILES notation for 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol?
The canonical SMILES for 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol is Cn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl.
What is the InChIKey of 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol?
The InChIKey is UDDSDTZODJGTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3.
What are the key properties of 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol?
4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol has a molecular weight of 391.85 g/mol, XLogP of 5.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol is sourced from PubChem (CID 71450112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).