1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene

C23H26 — CID 123655796

IUPAC1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene
SMILESCc1cccc(C(C2=C(C(C)C)C=CC2)c2cccc(C)c2)c1
InChIInChI=1S/C23H26/c1-16(2)21-12-7-13-22(21)23(19-10-5-8-17(3)14-19)20-11-6-9-18(4)15-20/h5-12,14-16,23H,13H2,1-4H3
InChIKeyRPEXKQVPYRMLGJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.35
Rot. Bonds4

About 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene

1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene (PubChem CID 123655796) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene
PubChem CID123655796
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene
SMILESCc1cccc(C(C2=C(C(C)C)C=CC2)c2cccc(C)c2)c1
InChIInChI=1S/C23H26/c1-16(2)21-12-7-13-22(21)23(19-10-5-8-17(3)14-19)20-11-6-9-18(4)15-20/h5-12,14-16,23H,13H2,1-4H3
InChIKeyRPEXKQVPYRMLGJ-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
1-[(3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)methyl]-3,5-dimethylbenzene
CID 123910588
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
CID 142381961
CID 142381961
1-methyl-3-propan-2-ylbenzene;molecular hydrogen;toluene
CID 170971912
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene (CID 123655796) is 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene is Cc1cccc(C(C2=C(C(C)C)C=CC2)c2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene?
The InChIKey is RPEXKQVPYRMLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-16(2)21-12-7-13-22(21)23(19-10-5-8-17(3)14-19)20-11-6-9-18(4)15-20/h5-12,14-16,23H,13H2,1-4H3.
What are the key properties of 1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene?
1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 6.35, 4 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)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene is sourced from PubChem (CID 123655796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).