5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde

C20H19NO — CID 59170383

IUPAC5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde
SMILESCCc1ccc(C=O)n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H19NO/c1-2-18-12-13-19(15-22)21(18)14-17-10-6-7-11-20(17)16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3
InChIKeyLCKBUDKZHDIEMT-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.58
Rot. Bonds5

About 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde

5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde (PubChem CID 59170383) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde
PubChem CID59170383
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde
SMILESCCc1ccc(C=O)n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H19NO/c1-2-18-12-13-19(15-22)21(18)14-17-10-6-7-11-20(17)16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3
InChIKeyLCKBUDKZHDIEMT-UHFFFAOYSA-N
XLogP4.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]-N-oxoprop-2-enamide
CID 143459114
2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
CID 59170388
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
2-[2-(4-phenylphenyl)phenyl]acetaldehyde
CID 87253874
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
3-ethyl-6-(2-phenylphenyl)phthalaldehyde
CID 154432219
1-(2-phenylphenyl)propan-2-yl formate
CID 22558445
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde?
The IUPAC name of 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde (CID 59170383) is 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde is CCc1ccc(C=O)n1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde?
The InChIKey is LCKBUDKZHDIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-18-12-13-19(15-22)21(18)14-17-10-6-7-11-20(17)16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3.
What are the key properties of 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde?
5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde has a molecular weight of 289.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 59170383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).