4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene

C17H18ClF — CID 55199662

IUPAC4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCCCc1ccc(C(Cl)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H18ClF/c1-3-4-13-5-7-14(8-6-13)17(18)15-9-10-16(19)12(2)11-15/h5-11,17H,3-4H2,1-2H3
InChIKeyOTHIFYVLMKNCCQ-UHFFFAOYSA-N
MW276.78 g/mol
LogP5.41
Rot. Bonds4

About 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene

4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene (PubChem CID 55199662) has the molecular formula C17H18ClF and a molecular weight of 276.78 g/mol. Its IUPAC name is 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
PubChem CID55199662
Molecular FormulaC17H18ClF
Molecular Weight276.78 g/mol
Exact Mass276.11
IUPAC Name4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCCCc1ccc(C(Cl)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H18ClF/c1-3-4-13-5-7-14(8-6-13)17(18)15-9-10-16(19)12(2)11-15/h5-11,17H,3-4H2,1-2H3
InChIKeyOTHIFYVLMKNCCQ-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.78
LogP ≤ 55.41
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

4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
2-[chloro-(4-propylphenyl)methyl]naphthalene
CID 63432067
4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
CID 114822429
4-[chloro-(4-methylsulfonylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747561
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran
CID 79747562
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
2-[(4-butylphenyl)-chloromethyl]-4-chloro-1-fluorobenzene
CID 63431641
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene (CID 55199662) is 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene is CCCc1ccc(C(Cl)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene?
The InChIKey is OTHIFYVLMKNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF/c1-3-4-13-5-7-14(8-6-13)17(18)15-9-10-16(19)12(2)11-15/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene?
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene has a molecular weight of 276.78 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 55199662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).