1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene

C16H16ClFO — CID 55197963

IUPAC1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2cc(C)ccc2C)c(F)c1
InChIInChI=1S/C16H16ClFO/c1-10-4-5-11(2)14(8-10)16(17)13-7-6-12(19-3)9-15(13)18/h4-9,16H,1-3H3
InChIKeyLROSUUKFLVGOSX-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.78
Rot. Bonds3

About 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene

1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 55197963) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID55197963
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2cc(C)ccc2C)c(F)c1
InChIInChI=1S/C16H16ClFO/c1-10-4-5-11(2)14(8-10)16(17)13-7-6-12(19-3)9-15(13)18/h4-9,16H,1-3H3
InChIKeyLROSUUKFLVGOSX-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.78
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-(2-ethoxy-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884602
2-bromo-1-[chloro-(2-fluoro-5-methylphenyl)methyl]-4-methoxybenzene
CID 55198729
1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 62511020
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-methylfuran
CID 61083480
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 81284211
1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 81265241
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene (CID 55197963) is 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene is COc1ccc(C(Cl)c2cc(C)ccc2C)c(F)c1.
What is the InChIKey of 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is LROSUUKFLVGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-4-5-11(2)14(8-10)16(17)13-7-6-12(19-3)9-15(13)18/h4-9,16H,1-3H3.
What are the key properties of 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene?
1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 278.75 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 55197963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).