5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole

C18H19NO — CID 21364513

IUPAC5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1cc(Oc2ccccc2)c(C2=NCCC2)cc1C
InChIInChI=1S/C18H19NO/c1-13-11-16(17-9-6-10-19-17)18(12-14(13)2)20-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyPVAJPTHKQTYSJD-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.68
Rot. Bonds3

About 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole

5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 21364513) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole
PubChem CID21364513
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1cc(Oc2ccccc2)c(C2=NCCC2)cc1C
InChIInChI=1S/C18H19NO/c1-13-11-16(17-9-6-10-19-17)18(12-14(13)2)20-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyPVAJPTHKQTYSJD-UHFFFAOYSA-N
XLogP4.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole (CID 21364513) is 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole is Cc1cc(Oc2ccccc2)c(C2=NCCC2)cc1C.
What is the InChIKey of 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is PVAJPTHKQTYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-11-16(17-9-6-10-19-17)18(12-14(13)2)20-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole?
5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 265.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 21364513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).