4-[chloro-(4-propylphenyl)methyl]-2-methylfuran

C15H17ClO — CID 114822429

IUPAC4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
SMILESCCCc1ccc(C(Cl)c2coc(C)c2)cc1
InChIInChI=1S/C15H17ClO/c1-3-4-12-5-7-13(8-6-12)15(16)14-9-11(2)17-10-14/h5-10,15H,3-4H2,1-2H3
InChIKeyRMTKEJHJGCXALM-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.87
Rot. Bonds4

About 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran

4-[chloro-(4-propylphenyl)methyl]-2-methylfuran (PubChem CID 114822429) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
PubChem CID114822429
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
SMILESCCCc1ccc(C(Cl)c2coc(C)c2)cc1
InChIInChI=1S/C15H17ClO/c1-3-4-12-5-7-13(8-6-12)15(16)14-9-11(2)17-10-14/h5-10,15H,3-4H2,1-2H3
InChIKeyRMTKEJHJGCXALM-UHFFFAOYSA-N
XLogP4.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
2-[chloro-(4-propylphenyl)methyl]naphthalene
CID 63432067
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
1-[(4-butylphenyl)-chloromethyl]-3,5-dimethylbenzene
CID 63431301
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819986
2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
CID 63432243
1-butyl-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63431815
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
CID 63432524

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran?
The IUPAC name of 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran (CID 114822429) is 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran?
The canonical SMILES for 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran is CCCc1ccc(C(Cl)c2coc(C)c2)cc1.
What is the InChIKey of 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran?
The InChIKey is RMTKEJHJGCXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-3-4-12-5-7-13(8-6-12)15(16)14-9-11(2)17-10-14/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran?
4-[chloro-(4-propylphenyl)methyl]-2-methylfuran has a molecular weight of 248.75 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-propylphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 114822429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).