Basic information
- CAS
13615-40-2- Standard SMILES
Cc1cc(O)c2ccccc2c1- InChIKey
ZPJCBXBTQBOAKY-UHFFFAOYSA-N- Molecular formula
- C11H10O
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.07316494
Names & identifiers
- Preferred name
- 1-Naphthol, 3-methyl-
- IUPAC
- 3-methylnaphthalen-1-ol
- English name
- 3-Methyl-1-naphthol
- Molecular formula
- C11H10O
- Molecular weight
- 158.2
Names & synonyms
3-Methyl-1-naphthol3-Methyl-alpha-naphthol3-Methyl-1-naphthalenol1-NAPHTHOL, 3-METHYL-BRN 1861348DTXSID901596974-06-00-04339 (Beilstein Handbook Reference)RefChem:232365DTXCID70821883-methylnaphthalen-1-ol13615-40-21-Naphthalenol, 3-methyl-
Show more names
3-methyl-1-hydroxynaphthalene3-methyl-naphthalen-1-ol3-methyl-l-naphtholhydroxy-3-methyl naphthaleneSCHEMBL158141SCHEMBL1327057SCHEMBL1402395SCHEMBL9652405
Database identifiers
- CAS
13615-40-2- PubChem CID
- 26135
- DTXSID
DTXSID90159697- Nikkaji
- J61.682F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 140 · 140-150 °C(Press: 2 Torr)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.40(Predicted)
Chemistry & industry
Suppliers4 total
BOC Sciences[email protected]
上海奥晨生物医药科技有限公司13917627064 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
8 records
Compound notes
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