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

C14H17Cl — CID 65174776

IUPAC2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC2=CC(Cl)CC2)c1
InChIInChI=1S/C14H17Cl/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(15)9-12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyOYHKAYCDWIHGCB-UHFFFAOYSA-N
MW220.74 g/mol
LogP4.17
Rot. Bonds2

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

2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene (PubChem CID 65174776) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
PubChem CID65174776
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC2=CC(Cl)CC2)c1
InChIInChI=1S/C14H17Cl/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(15)9-12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyOYHKAYCDWIHGCB-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-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol
CID 65174483
2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65175937
2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
CID 140587752
2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
CID 65176426
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
2-(2-cyclohexylethyl)-1,4-dimethylbenzene
CID 59184196
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene (CID 65174776) is 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CC2=CC(Cl)CC2)c1.
What is the InChIKey of 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene?
The InChIKey is OYHKAYCDWIHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(15)9-12/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene?
2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-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 2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 65174776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).