1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene

C14H19Cl — CID 63432112

IUPAC1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Cl)C2CC2C)cc1
InChIInChI=1S/C14H19Cl/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-10(13)2/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyYHQCVWBXALRXHK-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.57
Rot. Bonds4

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

1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene (PubChem CID 63432112) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
PubChem CID63432112
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Cl)C2CC2C)cc1
InChIInChI=1S/C14H19Cl/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-10(13)2/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyYHQCVWBXALRXHK-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
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-butyl-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 63431901
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
1-(1-chloroheptyl)-4-propylbenzene
CID 114753506
1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
CID 107182438
cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 11895791
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene?
The IUPAC name of 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene (CID 63432112) is 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene.
What is the SMILES notation for 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene?
The canonical SMILES for 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene is CCCc1ccc(C(Cl)C2CC2C)cc1.
What is the InChIKey of 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene?
The InChIKey is YHQCVWBXALRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-10(13)2/h5-8,10,13-14H,3-4,9H2,1-2H3.
What are the key properties of 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene?
1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene is sourced from PubChem (CID 63432112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).