cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone

C16H22O2 — CID 82049372

IUPACcyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C)cc1C(=O)C1CCCCC1
InChIInChI=1S/C16H22O2/c1-11-9-14(15(18-3)10-12(11)2)16(17)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyHNIAQPFFGFGFCJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.08
Rot. Bonds3

About cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone

cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone (PubChem CID 82049372) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
PubChem CID82049372
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namecyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C)cc1C(=O)C1CCCCC1
InChIInChI=1S/C16H22O2/c1-11-9-14(15(18-3)10-12(11)2)16(17)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyHNIAQPFFGFGFCJ-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116568899
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone?
The IUPAC name of cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone (CID 82049372) is cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone.
What is the SMILES notation for cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone?
The canonical SMILES for cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone is COc1cc(C)c(C)cc1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone?
The InChIKey is HNIAQPFFGFGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-9-14(15(18-3)10-12(11)2)16(17)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone?
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 82049372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).