1-Methoxy-4-(1-phenylethyl)benzene
Basic information
- CAS
2605-18-7- Standard SMILES
COc1ccc(C(C)c2ccccc2)cc1- InChIKey
JMOKUPRAECXBIE-UHFFFAOYSA-N- Molecular formula
- C15H16O
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.12011513
Names & identifiers
- Preferred name
- 1-Methoxy-4-(1-phenylethyl)benzene
- IUPAC
- 1-methoxy-4-(1-phenylethyl)benzene
- English name
- 1-Methoxy-4-(1-phenyl-ethyl)-benzene
- Molecular formula
- C15H16O
- Molecular weight
- 212.29
Names & synonyms
1-methoxy-4-(1-phenylethyl)benzene2605-18-7DTXSID30303899RefChem:231308DTXCID802550311-METHOXY-4-(1-PHENYL-ETHYL)-BENZENEBenzene, 1-methoxy-4-(1-phenylethyl)-NSC163360SCHEMBL156425SCHEMBL2123177SCHEMBL5788885WLZ3088
Show more names
MFCD00048268AKOS015967061NSC-163360CS-0435438F74835F763739
Database identifiers
- CAS
2605-18-7- PubChem CID
- 294569
- DTXSID
DTXSID30303899- Nikkaji
- J899.674A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 312.13 °C · 312.13°C (rough estimate)
- Density
- 1.06 · 1.0600
- refractive index
- 1.5725 · 1.5725 (estimate)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Related reactions
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Compound notes
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