Basic information
- CAS
6397-82-6- Standard SMILES
CCCCCC(=O)c1ccc(OC)cc1- InChIKey
GDNTZLJAPCYKJR-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 1-Hexanone, 1-(4-methoxyphenyl)-
- IUPAC
- 1-(4-methoxyphenyl)hexan-1-one
- English name
- 4'-methoxyhexanophenone
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
1-Hexanone, 1-(4-methoxyphenyl)-RefChem:4330434'-Methoxyhexanophenone1-(4-methoxyphenyl)hexan-1-one6397-82-6MFCD010958431-(4-Methoxyphenyl)-1-hexanone1-(4-methoxy-phenyl)-hexan-1-oneEINECS 229-010-5SCHEMBL1304627DTXSID609813861-(4-Methoxyphenyl)-1-hexanone #
Show more names
1-Methoxy-4-hexanoylbenzene4-Methoxyphenylpentyl ketone1-(4-METHOXYPHENYL)HEXAN-1-ONE(WXG01688)
SBB056550AKOS009347320NS00044606ST50973554F400958
Database identifiers
- CAS
6397-82-6- PubChem CID
- 80809
- DTXSID
DTXSID60981386- EC Number
- 229-010-5
- Nikkaji
- J207.006E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Hexanone, 1-(4-methoxyphenyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers5 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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