1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

C19H22ClF — CID 63429790

IUPAC1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1ccc(F)cc1C(Cl)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H22ClF/c1-10-7-8-16(21)9-17(10)19(20)18-14(5)12(3)11(2)13(4)15(18)6/h7-9,19H,1-6H3
InChIKeyKCRYALFMTKOFGI-UHFFFAOYSA-N
MW304.84 g/mol
LogP6.00
Rot. Bonds2

About 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 63429790) has the molecular formula C19H22ClF and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID63429790
Molecular FormulaC19H22ClF
Molecular Weight304.84 g/mol
Exact Mass304.14
IUPAC Name1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1ccc(F)cc1C(Cl)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H22ClF/c1-10-7-8-16(21)9-17(10)19(20)18-14(5)12(3)11(2)13(4)15(18)6/h7-9,19H,1-6H3
InChIKeyKCRYALFMTKOFGI-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.84
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816483
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
2-[chloro-(4-ethoxyphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63429360
2-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431799
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63444048
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429571
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (CID 63429790) is 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is Cc1ccc(F)cc1C(Cl)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is KCRYALFMTKOFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF/c1-10-7-8-16(21)9-17(10)19(20)18-14(5)12(3)11(2)13(4)15(18)6/h7-9,19H,1-6H3.
What are the key properties of 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 304.84 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63429790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).