1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene

C16H16ClFO — CID 65432513

IUPAC1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
SMILESCOc1cccc(F)c1C(Cl)c1ccc(C)cc1C
InChIInChI=1S/C16H16ClFO/c1-10-7-8-12(11(2)9-10)16(17)15-13(18)5-4-6-14(15)19-3/h4-9,16H,1-3H3
InChIKeyIGNSWRZVZOUMQZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.78
Rot. Bonds3

About 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene

1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene (PubChem CID 65432513) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
PubChem CID65432513
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
SMILESCOc1cccc(F)c1C(Cl)c1ccc(C)cc1C
InChIInChI=1S/C16H16ClFO/c1-10-7-8-12(11(2)9-10)16(17)15-13(18)5-4-6-14(15)19-3/h4-9,16H,1-3H3
InChIKeyIGNSWRZVZOUMQZ-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

2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
1-[chloro-(2-chloro-6-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63434780
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431934
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
CID 65434828
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene (CID 65432513) is 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene is COc1cccc(F)c1C(Cl)c1ccc(C)cc1C.
What is the InChIKey of 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is IGNSWRZVZOUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-7-8-12(11(2)9-10)16(17)15-13(18)5-4-6-14(15)19-3/h4-9,16H,1-3H3.
What are the key properties of 1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene?
1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene 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-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 65432513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).