4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene

C16H16ClFO — CID 66033669

IUPAC4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(CC(CCl)c2ccccc2)cc1F
InChIInChI=1S/C16H16ClFO/c1-19-16-8-7-12(10-15(16)18)9-14(11-17)13-5-3-2-4-6-13/h2-8,10,14H,9,11H2,1H3
InChIKeyPHYAGXSLJJKGCG-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.40
Rot. Bonds5

About 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene

4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene (PubChem CID 66033669) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
PubChem CID66033669
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(CC(CCl)c2ccccc2)cc1F
InChIInChI=1S/C16H16ClFO/c1-19-16-8-7-12(10-15(16)18)9-14(11-17)13-5-3-2-4-6-13/h2-8,10,14H,9,11H2,1H3
InChIKeyPHYAGXSLJJKGCG-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.40
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

3-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 66059844
4-[3-bromo-2-(4-bromophenyl)propyl]-2-fluoro-1-methoxybenzene
CID 79434131
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025532
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142128
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene (CID 66033669) is 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene is COc1ccc(CC(CCl)c2ccccc2)cc1F.
What is the InChIKey of 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene?
The InChIKey is PHYAGXSLJJKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-19-16-8-7-12(10-15(16)18)9-14(11-17)13-5-3-2-4-6-13/h2-8,10,14H,9,11H2,1H3.
What are the key properties of 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene?
4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene has a molecular weight of 278.75 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 66033669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).