(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone

C16H21FO2 — CID 107176350

IUPAC(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H21FO2/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyCHPLKMVRNOMXEZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.23
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone

(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 107176350) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID107176350
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H21FO2/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyCHPLKMVRNOMXEZ-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738
(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107176730
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone (CID 107176350) is (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is CHPLKMVRNOMXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone?
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 264.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 107176350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).