2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene

C14H16 — CID 140587752

IUPAC2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC2=CC=CC2)c1
InChIInChI=1S/C14H16/c1-11-7-8-12(2)14(9-11)10-13-5-3-4-6-13/h3-5,7-9H,6,10H2,1-2H3
InChIKeyOUPDTOFLBBKBHH-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.73
Rot. Bonds2

About 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene

2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene (PubChem CID 140587752) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
PubChem CID140587752
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC2=CC=CC2)c1
InChIInChI=1S/C14H16/c1-11-7-8-12(2)14(9-11)10-13-5-3-4-6-13/h3-5,7-9H,6,10H2,1-2H3
InChIKeyOUPDTOFLBBKBHH-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene
CID 123396097
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
CID 65174776
3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol
CID 65174483
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
[4-[(2,5-dimethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;titanium(4+);trichloride
CID 173385195
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene
CID 123489661
1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
CID 163739903
2-[(2,5-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951819
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene (CID 140587752) is 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(CC2=CC=CC2)c1.
What is the InChIKey of 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene?
The InChIKey is OUPDTOFLBBKBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-7-8-12(2)14(9-11)10-13-5-3-4-6-13/h3-5,7-9H,6,10H2,1-2H3.
What are the key properties of 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene?
2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 140587752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).