1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene

C17H18ClFO — CID 63432780

IUPAC1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(Cl)Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H18ClFO/c1-12(2)20-16-8-6-14(7-9-16)17(18)11-13-4-3-5-15(19)10-13/h3-10,12,17H,11H2,1-2H3
InChIKeyWOZJZFZRMYTVOD-UHFFFAOYSA-N
MW292.78 g/mol
LogP5.14
Rot. Bonds5

About 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene

1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene (PubChem CID 63432780) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
PubChem CID63432780
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(Cl)Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H18ClFO/c1-12(2)20-16-8-6-14(7-9-16)17(18)11-13-4-3-5-15(19)10-13/h3-10,12,17H,11H2,1-2H3
InChIKeyWOZJZFZRMYTVOD-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.78
LogP ≤ 55.14
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-bromo-3-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]benzene
CID 63432687
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63520593
1-[chloro-(4-propan-2-yloxyphenyl)methyl]-3,5-difluorobenzene
CID 63432827
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene (CID 63432780) is 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene is CC(C)Oc1ccc(C(Cl)Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene?
The InChIKey is WOZJZFZRMYTVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-12(2)20-16-8-6-14(7-9-16)17(18)11-13-4-3-5-15(19)10-13/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene?
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene has a molecular weight of 292.78 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 63432780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).