2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one

C18H25FO — CID 106882472

IUPAC2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one
SMILESCc1cc(C)c(C(C)(C)C2CCC(C)CC2=O)c(F)c1
InChIInChI=1S/C18H25FO/c1-11-6-7-14(16(20)10-11)18(4,5)17-13(3)8-12(2)9-15(17)19/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyFIFWSCPDUKHKCI-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.73
Rot. Bonds2

About 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one

2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one (PubChem CID 106882472) has the molecular formula C18H25FO and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one
PubChem CID106882472
Molecular FormulaC18H25FO
Molecular Weight276.40 g/mol
Exact Mass276.19
IUPAC Name2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one
SMILESCc1cc(C)c(C(C)(C)C2CCC(C)CC2=O)c(F)c1
InChIInChI=1S/C18H25FO/c1-11-6-7-14(16(20)10-11)18(4,5)17-13(3)8-12(2)9-15(17)19/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyFIFWSCPDUKHKCI-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one
CID 65104592
cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
CID 10537454
1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106880260
2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 114934401
2-(2-chloropropan-2-yl)-5-methylcyclohexan-1-one
CID 15563355
2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
CID 64765340
2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
CID 64764634
2-[2-(7-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-one
CID 114733212
5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one
CID 81230547
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11572009
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The IUPAC name of 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one (CID 106882472) is 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The canonical SMILES for 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one is Cc1cc(C)c(C(C)(C)C2CCC(C)CC2=O)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The InChIKey is FIFWSCPDUKHKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c1-11-6-7-14(16(20)10-11)18(4,5)17-13(3)8-12(2)9-15(17)19/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one has a molecular weight of 276.40 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one is sourced from PubChem (CID 106882472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).