Basic information
- CAS
53587-16-9- Standard SMILES
COc1cc(C(C)C)ccc1O- InChIKey
UTTAPTYWBUUIPU-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- Phenol, 2-methoxy-4-(1-methylethyl)-
- IUPAC
- 2-methoxy-4-propan-2-ylphenol
- English name
- 2-Methoxy-4-(propan-2-yl)phenol
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
2-Methoxy-4-(1-methylethyl)phenolPhenol, 2-methoxy-4-(1-methylethyl)-DTXSID50201803RefChem:369050DTXCID4012429453587-16-92-METHOXY-4-(PROPAN-2-YL)PHENOL4-ISOPROPYL-2-METHOXYPHENOLSCHEMBL2411502SCHEMBL29625307GS2788MB01575
Database identifiers
- CAS
53587-16-9- PubChem CID
- 3016830
- DTXSID
DTXSID50201803- Nikkaji
- J662.835D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 39 °C · 39 °C
- Boiling point
- 245.7 · 245.7±28.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- pka
- 10.25 · 10.25±0.18(Predicted)
- LogP
- 2.526 · 2.526 (est)
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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