1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene

C23H26 — CID 158612198

IUPAC1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
SMILESCCCC1=CC=CC1C(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C23H26/c1-4-8-19-11-7-14-22(19)23(20-12-5-9-17(2)15-20)21-13-6-10-18(3)16-21/h5-7,9-16,22-23H,4,8H2,1-3H3
InChIKeyMYFQZVDCIVXTRM-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.35
Rot. Bonds5

About 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene

1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene (PubChem CID 158612198) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
PubChem CID158612198
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
SMILESCCCC1=CC=CC1C(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C23H26/c1-4-8-19-11-7-14-22(19)23(20-12-5-9-17(2)15-20)21-13-6-10-18(3)16-21/h5-7,9-16,22-23H,4,8H2,1-3H3
InChIKeyMYFQZVDCIVXTRM-UHFFFAOYSA-N
XLogP6.35
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 ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
CID 141345910
[(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
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
1-[di(butan-2-yloxy)methyl]-3-methylbenzene
CID 23199715
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(3-methylphenyl)butane-1-thiol
CID 175144384
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
CID 142381961
CID 142381961

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene (CID 158612198) is 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene is CCCC1=CC=CC1C(c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
The InChIKey is MYFQZVDCIVXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-4-8-19-11-7-14-22(19)23(20-12-5-9-17(2)15-20)21-13-6-10-18(3)16-21/h5-7,9-16,22-23H,4,8H2,1-3H3.
What are the key properties of 1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 6.35, 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)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene is sourced from PubChem (CID 158612198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).