4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene

C21H22 — CID 153289429

IUPAC4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene
SMILESCCc1ccc(C2=CC(c3ccccc3)=C(C)C2)c(C)c1
InChIInChI=1S/C21H22/c1-4-17-10-11-20(15(2)12-17)19-13-16(3)21(14-19)18-8-6-5-7-9-18/h5-12,14H,4,13H2,1-3H3
InChIKeyGINPFGHNJNFZJD-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.82
Rot. Bonds3

About 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene

4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 153289429) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID153289429
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene
SMILESCCc1ccc(C2=CC(c3ccccc3)=C(C)C2)c(C)c1
InChIInChI=1S/C21H22/c1-4-17-10-11-20(15(2)12-17)19-13-16(3)21(14-19)18-8-6-5-7-9-18/h5-12,14H,4,13H2,1-3H3
InChIKeyGINPFGHNJNFZJD-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-ethyl-1-phenylbenzene
CID 123462348
2-(4-ethyl-2-methylphenyl)-1-methyl-4-phenylpyridin-1-ium
CID 123231632
5-ethyl-3-methyl-2-(3-methyl-4-phenylphenyl)pyridine
CID 140847511
4-ethyl-1-phenyl-2-thionitrosobenzene
CID 174568180
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501
2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene
CID 146002696
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid
CID 143366195
(4-ethyl-2-phenylphenyl)hydrazine
CID 45095041

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene (CID 153289429) is 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene is CCc1ccc(C2=CC(c3ccccc3)=C(C)C2)c(C)c1.
What is the InChIKey of 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is GINPFGHNJNFZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-4-17-10-11-20(15(2)12-17)19-13-16(3)21(14-19)18-8-6-5-7-9-18/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene?
4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 274.41 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 153289429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).