1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene

C14H16 — CID 159237660

IUPAC1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene
SMILESCC1=CC(c2cccc(C)c2)C=C1C
InChIInChI=1S/C14H16/c1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-14/h4-9,14H,1-3H3
InChIKeyGHBBLMHTLDZRJD-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.98
Rot. Bonds1

About 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene

1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene (PubChem CID 159237660) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene
PubChem CID159237660
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene
SMILESCC1=CC(c2cccc(C)c2)C=C1C
InChIInChI=1S/C14H16/c1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-14/h4-9,14H,1-3H3
InChIKeyGHBBLMHTLDZRJD-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-3-(3-methylphenyl)oxirane
CID 72951776
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 157132628
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
2-(3-methylphenyl)-1,3-diphenylimidazolidine
CID 614021
azane;1,3-xylene;hydrochloride
CID 175000695
ethane;methane;1,3-xylene
CID 145463381
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene?
The IUPAC name of 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene (CID 159237660) is 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene.
What is the SMILES notation for 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene?
The canonical SMILES for 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene is CC1=CC(c2cccc(C)c2)C=C1C.
What is the InChIKey of 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene?
The InChIKey is GHBBLMHTLDZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-14/h4-9,14H,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene?
1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene is sourced from PubChem (CID 159237660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).