2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene

C17H18ClFO — CID 106879793

IUPAC2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
SMILESCOc1ccc(C)cc1C(Cl)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H18ClFO/c1-10-5-6-15(20-4)14(7-10)17(18)16-11(2)8-13(19)9-12(16)3/h5-9,17H,1-4H3
InChIKeyYEVCNGRKRUCDAQ-UHFFFAOYSA-N
MW292.78 g/mol
LogP5.09
Rot. Bonds3

About 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene

2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene (PubChem CID 106879793) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
PubChem CID106879793
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
SMILESCOc1ccc(C)cc1C(Cl)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H18ClFO/c1-10-5-6-15(20-4)14(7-10)17(18)16-11(2)8-13(19)9-12(16)3/h5-9,17H,1-4H3
InChIKeyYEVCNGRKRUCDAQ-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.78
LogP ≤ 55.09
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-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879803
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
CID 65238549
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879809
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The IUPAC name of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene (CID 106879793) is 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene is COc1ccc(C)cc1C(Cl)c1c(C)cc(F)cc1C.
What is the InChIKey of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The InChIKey is YEVCNGRKRUCDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-10-5-6-15(20-4)14(7-10)17(18)16-11(2)8-13(19)9-12(16)3/h5-9,17H,1-4H3.
What are the key properties of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene has a molecular weight of 292.78 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 106879793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).