(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

C16H19F3O2 — CID 105084741

IUPAC(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2CCCCC2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H19F3O2/c1-10-9-11(21-2)7-8-12(10)15(20)13-5-3-4-6-14(13)16(17,18)19/h7-9,13-14H,3-6H2,1-2H3
InChIKeyISCLKIJFJMLMML-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.56
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105084741) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105084741
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2CCCCC2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H19F3O2/c1-10-9-11(21-2)7-8-12(10)15(20)13-5-3-4-6-14(13)16(17,18)19/h7-9,13-14H,3-6H2,1-2H3
InChIKeyISCLKIJFJMLMML-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-methoxy-2-methylphenyl)pentan-1-one
CID 146007229
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide
CID 154780969

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105084741) is (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is COc1ccc(C(=O)C2CCCCC2C(F)(F)F)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ISCLKIJFJMLMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c1-10-9-11(21-2)7-8-12(10)15(20)13-5-3-4-6-14(13)16(17,18)19/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105084741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).