1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene

C14H19Cl — CID 66035780

IUPAC1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene
SMILESCCc1ccc(CC2(CCl)CCC2)cc1
InChIInChI=1S/C14H19Cl/c1-2-12-4-6-13(7-5-12)10-14(11-15)8-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyRTJAIENAEHOBDN-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.20
Rot. Bonds4

About 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene

1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene (PubChem CID 66035780) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene
PubChem CID66035780
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene
SMILESCCc1ccc(CC2(CCl)CCC2)cc1
InChIInChI=1S/C14H19Cl/c1-2-12-4-6-13(7-5-12)10-14(11-15)8-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyRTJAIENAEHOBDN-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene?
The IUPAC name of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene (CID 66035780) is 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene.
What is the SMILES notation for 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene?
The canonical SMILES for 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene is CCc1ccc(CC2(CCl)CCC2)cc1.
What is the InChIKey of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene?
The InChIKey is RTJAIENAEHOBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-2-12-4-6-13(7-5-12)10-14(11-15)8-3-9-14/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene?
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene is sourced from PubChem (CID 66035780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).