1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene

C17H18ClFO — CID 66033709

IUPAC1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
SMILESCOc1ccccc1CC(CCl)Cc1ccc(F)cc1
InChIInChI=1S/C17H18ClFO/c1-20-17-5-3-2-4-15(17)11-14(12-18)10-13-6-8-16(19)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyAGCDEWLWVUJHHZ-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.47
Rot. Bonds6

About 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene

1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene (PubChem CID 66033709) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
PubChem CID66033709
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
SMILESCOc1ccccc1CC(CCl)Cc1ccc(F)cc1
InChIInChI=1S/C17H18ClFO/c1-20-17-5-3-2-4-15(17)11-14(12-18)10-13-6-8-16(19)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyAGCDEWLWVUJHHZ-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.47
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-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
CID 83182238
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
2-bromo-4-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-1-methoxybenzene
CID 66035027
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984
4-bromo-2-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-fluorobenzene
CID 66049693
1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene
CID 103985134
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
CID 66034057
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methoxybenzene
CID 66041158
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene?
The IUPAC name of 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene (CID 66033709) is 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene is COc1ccccc1CC(CCl)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene?
The InChIKey is AGCDEWLWVUJHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-20-17-5-3-2-4-15(17)11-14(12-18)10-13-6-8-16(19)9-7-13/h2-9,14H,10-12H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene?
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene has a molecular weight of 292.78 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene is sourced from PubChem (CID 66033709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).