3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan

C15H17ClO — CID 83183227

IUPAC3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
SMILESCc1ccc(CC(CCl)Cc2ccoc2)cc1
InChIInChI=1S/C15H17ClO/c1-12-2-4-13(5-3-12)8-15(10-16)9-14-6-7-17-11-14/h2-7,11,15H,8-10H2,1H3
InChIKeyZBZJBYWINDSXGQ-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.23
Rot. Bonds5

About 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan

3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan (PubChem CID 83183227) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan.

Molecular Properties

Compound Name3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
PubChem CID83183227
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
SMILESCc1ccc(CC(CCl)Cc2ccoc2)cc1
InChIInChI=1S/C15H17ClO/c1-12-2-4-13(5-3-12)8-15(10-16)9-14-6-7-17-11-14/h2-7,11,15H,8-10H2,1H3
InChIKeyZBZJBYWINDSXGQ-UHFFFAOYSA-N
XLogP4.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.23
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-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83183089
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 83178421
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
CID 83182238
1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
5-[2-(chloromethyl)-3-(4-methylphenyl)propyl]-1-methyl-1,2,4-triazole
CID 66033927
1-[2-(chloromethyl)heptyl]-4-methylbenzene
CID 66033261
1-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-4-methylbenzene
CID 66033705
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426
3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
CID 66034144

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan?
The IUPAC name of 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan (CID 83183227) is 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan.
What is the SMILES notation for 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan?
The canonical SMILES for 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan is Cc1ccc(CC(CCl)Cc2ccoc2)cc1.
What is the InChIKey of 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan?
The InChIKey is ZBZJBYWINDSXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-12-2-4-13(5-3-12)8-15(10-16)9-14-6-7-17-11-14/h2-7,11,15H,8-10H2,1H3.
What are the key properties of 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan?
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan has a molecular weight of 248.75 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan is sourced from PubChem (CID 83183227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).