(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone

C15H18F2O2 — CID 114215515

IUPAC(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC(F)(F)C2)c(C)c1
InChIInChI=1S/C15H18F2O2/c1-10-8-12(19-2)5-6-13(10)14(18)11-4-3-7-15(16,17)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyVXFMXCOEJMHSRA-UHFFFAOYSA-N
MW268.30 g/mol
LogP4.01
Rot. Bonds3

About (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone

(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone (PubChem CID 114215515) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
PubChem CID114215515
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC(F)(F)C2)c(C)c1
InChIInChI=1S/C15H18F2O2/c1-10-8-12(19-2)5-6-13(10)14(18)11-4-3-7-15(16,17)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyVXFMXCOEJMHSRA-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
CID 114215602
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
CID 114215551
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 124874507
(1S)-3,3-difluoro-N-[(2S)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 124874517

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone (CID 114215515) is (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)C2CCCC(F)(F)C2)c(C)c1.
What is the InChIKey of (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is VXFMXCOEJMHSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-10-8-12(19-2)5-6-13(10)14(18)11-4-3-7-15(16,17)9-11/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone?
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 268.30 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 114215515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).