1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene

C15H21Cl — CID 63431901

IUPAC1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
SMILESCCCCc1ccc(C(Cl)C2CC2C)cc1
InChIInChI=1S/C15H21Cl/c1-3-4-5-12-6-8-13(9-7-12)15(16)14-10-11(14)2/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyNUOAPYFXACEAKK-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.97
Rot. Bonds5

About 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene

1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene (PubChem CID 63431901) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
PubChem CID63431901
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
SMILESCCCCc1ccc(C(Cl)C2CC2C)cc1
InChIInChI=1S/C15H21Cl/c1-3-4-5-12-6-8-13(9-7-12)15(16)14-10-11(14)2/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyNUOAPYFXACEAKK-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
CID 63432112
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
2-(4-butylphenyl)-2-cyclopropylacetaldehyde
CID 112507846
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
3-[(4-butylphenyl)-chloromethyl]-2,4,5-trimethylfuran
CID 65152676

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
The IUPAC name of 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene (CID 63431901) is 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene.
What is the SMILES notation for 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
The canonical SMILES for 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene is CCCCc1ccc(C(Cl)C2CC2C)cc1.
What is the InChIKey of 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
The InChIKey is NUOAPYFXACEAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-3-4-5-12-6-8-13(9-7-12)15(16)14-10-11(14)2/h6-9,11,14-15H,3-5,10H2,1-2H3.
What are the key properties of 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene has a molecular weight of 236.79 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene is sourced from PubChem (CID 63431901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).