[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone

C23H17NO4 — CID 155558750

IUPAC[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C23H17NO4/c25-18-7-1-15(2-8-18)21-13-24(23(28)17-5-11-20(27)12-6-17)14-22(21)16-3-9-19(26)10-4-16/h1-14,25-27H
InChIKeyDSOYGABPHAOPRX-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.63
Rot. Bonds3

About [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone

[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 155558750) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID155558750
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C23H17NO4/c25-18-7-1-15(2-8-18)21-13-24(23(28)17-5-11-20(27)12-6-17)14-22(21)16-3-9-19(26)10-4-16/h1-14,25-27H
InChIKeyDSOYGABPHAOPRX-UHFFFAOYSA-N
XLogP4.63
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone (CID 155558750) is [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1.
What is the InChIKey of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is DSOYGABPHAOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-18-7-1-15(2-8-18)21-13-24(23(28)17-5-11-20(27)12-6-17)14-22(21)16-3-9-19(26)10-4-16/h1-14,25-27H.
What are the key properties of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone?
[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 371.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 155558750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).