[2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

C26H23NO5 — CID 91373712

IUPAC[2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccc[nH]3)ccc2-c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C26H23NO5/c1-30-23-14-18(15-24(31-2)26(23)32-3)25(29)21-13-17(22-5-4-12-27-22)8-11-20(21)16-6-9-19(28)10-7-16/h4-15,27-28H,1-3H3
InChIKeyFHVQZPGPGKFFBS-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.31
Rot. Bonds7

About [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 91373712) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID91373712
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name[2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccc[nH]3)ccc2-c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C26H23NO5/c1-30-23-14-18(15-24(31-2)26(23)32-3)25(29)21-13-17(22-5-4-12-27-22)8-11-20(21)16-6-9-19(28)10-7-16/h4-15,27-28H,1-3H3
InChIKeyFHVQZPGPGKFFBS-UHFFFAOYSA-N
XLogP5.31
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 91373712) is [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3ccc[nH]3)ccc2-c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FHVQZPGPGKFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-30-23-14-18(15-24(31-2)26(23)32-3)25(29)21-13-17(22-5-4-12-27-22)8-11-20(21)16-6-9-19(28)10-7-16/h4-15,27-28H,1-3H3.
What are the key properties of [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 429.47 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 91373712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).