4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene

C14H17Cl — CID 65176215

IUPAC4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC2=CC(Cl)CC2)cc1C
InChIInChI=1S/C14H17Cl/c1-10-3-4-12(7-11(10)2)8-13-5-6-14(15)9-13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyAQNFUNNZPLVNHL-UHFFFAOYSA-N
MW220.74 g/mol
LogP4.17
Rot. Bonds2

About 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene

4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene (PubChem CID 65176215) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene
PubChem CID65176215
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC2=CC(Cl)CC2)cc1C
InChIInChI=1S/C14H17Cl/c1-10-3-4-12(7-11(10)2)8-13-5-6-14(15)9-13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyAQNFUNNZPLVNHL-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine
CID 65174640
2-bromo-4-[(3-chlorocyclopenten-1-yl)methyl]-1-methoxybenzene
CID 65176044
2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
CID 65174776
1-bromo-3-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65176319
1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene
CID 65177498
4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole
CID 160547362
4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
CID 173472897
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867150
6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 63354210
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene (CID 65176215) is 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene is Cc1ccc(CC2=CC(Cl)CC2)cc1C.
What is the InChIKey of 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene?
The InChIKey is AQNFUNNZPLVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl/c1-10-3-4-12(7-11(10)2)8-13-5-6-14(15)9-13/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene?
4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene has a molecular weight of 220.74 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 65176215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).