1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene

C22H24 — CID 141345910

IUPAC1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
SMILESCCC1=CC=CC1C(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C22H24/c1-4-18-10-7-13-21(18)22(19-11-5-8-16(2)14-19)20-12-6-9-17(3)15-20/h5-15,21-22H,4H2,1-3H3
InChIKeyNNXKETMBZYOTAP-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.96
Rot. Bonds4

About 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene

1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene (PubChem CID 141345910) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
PubChem CID141345910
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
SMILESCCC1=CC=CC1C(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C22H24/c1-4-18-10-7-13-21(18)22(19-11-5-8-16(2)14-19)20-12-6-9-17(3)15-20/h5-15,21-22H,4H2,1-3H3
InChIKeyNNXKETMBZYOTAP-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
CID 158612198
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 141345883
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
CID 142381961
CID 142381961
2-(3-methylphenyl)propan-1-ol
CID 21478686
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
3-(3-methylphenyl)pentan-2-ol
CID 130543430
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene?
The IUPAC name of 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene (CID 141345910) is 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene.
What is the SMILES notation for 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene?
The canonical SMILES for 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene is CCC1=CC=CC1C(c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene?
The InChIKey is NNXKETMBZYOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-4-18-10-7-13-21(18)22(19-11-5-8-16(2)14-19)20-12-6-9-17(3)15-20/h5-15,21-22H,4H2,1-3H3.
What are the key properties of 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene?
1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene has a molecular weight of 288.43 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene is sourced from PubChem (CID 141345910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).