1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene

C23H26 — CID 123514091

IUPAC1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene
SMILESCCCC1=CCC(C(c2cccc(C)c2)c2cccc(C)c2)=C1
InChIInChI=1S/C23H26/c1-4-7-19-12-13-22(16-19)23(20-10-5-8-17(2)14-20)21-11-6-9-18(3)15-21/h5-6,8-12,14-16,23H,4,7,13H2,1-3H3
InChIKeyWNLHBYFHBNUMSE-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.49
Rot. Bonds5

About 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene

1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene (PubChem CID 123514091) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene
PubChem CID123514091
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene
SMILESCCCC1=CCC(C(c2cccc(C)c2)c2cccc(C)c2)=C1
InChIInChI=1S/C23H26/c1-4-7-19-12-13-22(16-19)23(20-10-5-8-17(2)14-20)21-11-6-9-18(3)15-21/h5-6,8-12,14-16,23H,4,7,13H2,1-3H3
InChIKeyWNLHBYFHBNUMSE-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(3-methylphenyl)butane-1-thiol
CID 175144384
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
CID 158612198
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
triethoxy-[1-(3-methylphenyl)ethyl]silane
CID 139239900
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene (CID 123514091) is 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene is CCCC1=CCC(C(c2cccc(C)c2)c2cccc(C)c2)=C1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene?
The InChIKey is WNLHBYFHBNUMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-4-7-19-12-13-22(16-19)23(20-10-5-8-17(2)14-20)21-11-6-9-18(3)15-21/h5-6,8-12,14-16,23H,4,7,13H2,1-3H3.
What are the key properties of 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene?
1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)methyl]benzene is sourced from PubChem (CID 123514091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).