Basic information
- CAS
2789-44-8- Standard SMILES
Cc1ccc(C(=O)C2CCCCC2)cc1- InChIKey
NFZZBMGYMUGQBI-UHFFFAOYSA-N- Molecular formula
- C14H18O
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.13576519
Names & identifiers
- Preferred name
- Cyclohexyl(4-methylphenyl)methanone
- IUPAC
- cyclohexyl-(4-methylphenyl)methanone
- English name
- CYCLOHEXYL 4-METHYLPHENYL KETONE
- Molecular formula
- C14H18O
- Molecular weight
- 202.29
Names & synonyms
2789-44-8Cyclohexyl(4-methylphenyl)methanoneCyclohexyl p-tolyl ketoneCYCLOHEXYL 4-METHYLPHENYL KETONEcyclohexyl(p-tolyl)methanonecyclohexyl-(4-methylphenyl)methanoneMFCD01871291Q8568Q3FE3Methanone, cyclohexyl(4-methylphenyl)-4-CyclohexylcarbonyltolueneCyclohexyl-p-tolyl-methanone4-Methylphenyl cyclohexyl ketone
Show more names
Cyclohexyl p-Toulyl ketone4-Methylphenylcyclohexyl ketone(4-Methylphenyl)cyclohexyl ketone
EINECS 220-519-8Methanone,cyclohexyl(4-methylphenyl)-cyclohexyl(4 tolyl)methanoneSCHEMBL507614UNII-Q8568Q3FE3DTXSID90182182KETONE, CYCLOHEXYL P-TOLYLCAA78944
Database identifiers
- CAS
2789-44-8- PubChem CID
- 76035
- DTXSID
DTXSID90182182- UNII
- Q8568Q3FE3
- EC Number
- 220-519-8
- Nikkaji
- J283.908C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- FDA UNII
- 8568 Q3FE3 · Q8568Q3FE3
Chemistry & industry
Suppliers10 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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