(4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone

C18H15NO2 — CID 822973

IUPAC(4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]cc2-c2ccccc2)cc1
InChIInChI=1S/C18H15NO2/c1-21-15-9-7-14(8-10-15)18(20)17-12-19-11-16(17)13-5-3-2-4-6-13/h2-12,19H,1H3
InChIKeyRIZKZYOQACEMDQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.92
Rot. Bonds4

About (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone

(4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone (PubChem CID 822973) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone
PubChem CID822973
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]cc2-c2ccccc2)cc1
InChIInChI=1S/C18H15NO2/c1-21-15-9-7-14(8-10-15)18(20)17-12-19-11-16(17)13-5-3-2-4-6-13/h2-12,19H,1H3
InChIKeyRIZKZYOQACEMDQ-UHFFFAOYSA-N
XLogP3.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone (CID 822973) is (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone is COc1ccc(C(=O)c2c[nH]cc2-c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
The InChIKey is RIZKZYOQACEMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-15-9-7-14(8-10-15)18(20)17-12-19-11-16(17)13-5-3-2-4-6-13/h2-12,19H,1H3.
What are the key properties of (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone?
(4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-phenyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 822973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).