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

C23H17NO3 — CID 155538054

IUPAC[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C23H17NO3/c25-19-10-6-16(7-11-19)21-14-24(23(27)18-4-2-1-3-5-18)15-22(21)17-8-12-20(26)13-9-17/h1-15,25-26H
InChIKeyVWWJXDVITXAQPU-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.92
Rot. Bonds3

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

[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone (PubChem CID 155538054) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
PubChem CID155538054
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C23H17NO3/c25-19-10-6-16(7-11-19)21-14-24(23(27)18-4-2-1-3-5-18)15-22(21)17-8-12-20(26)13-9-17/h1-15,25-26H
InChIKeyVWWJXDVITXAQPU-UHFFFAOYSA-N
XLogP4.92
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone?
The IUPAC name of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone (CID 155538054) is [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone.
What is the SMILES notation for [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone?
The canonical SMILES for [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1.
What is the InChIKey of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone?
The InChIKey is VWWJXDVITXAQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-19-10-6-16(7-11-19)21-14-24(23(27)18-4-2-1-3-5-18)15-22(21)17-8-12-20(26)13-9-17/h1-15,25-26H.
What are the key properties of [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone?
[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone has a molecular weight of 355.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone is sourced from PubChem (CID 155538054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).