Basic information
- CAS
67031-41-8- Standard SMILES
COc1ccc(C(O)C(C)C)cc1OC- InChIKey
AHNPSXRKYWCRBA-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 3,4-Dimethoxy-alpha-(1-methylethyl)benzenemethanol
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
- English name
- 1-(3,4-Dimethoxyphenyl)-2-methyl-1-propanol
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
67031-41-8DTXSID0012453663,4-Dimethoxy-alpha-(1-methylethyl)benzenemethanolRefChem:1065775DTXCID4016762221-(3,4-dimethoxyphenyl)-2-methylpropan-1-olBRN 3273872BENZYL ALCOHOL, 3,4-DIMETHOXY-alpha-ISOPROPYL-3,4-Dimethoxy-alpha-isopropylbenzyl alcoholNSC638921-(3,4-Dimethoxyphenyl)-2-methyl-1-propanolNCIOpen2_002680
Show more names
α-Isopropyl-3,4-dimethoxybenzyl alcoholBenzenemethanol, 3,4-dimethoxy-α-(1-methylethyl)-
3-06-00-06360 (Beilstein Handbook Reference)SCHEMBL758673CHEMBL481043AHNPSXRKYWCRBA-UHFFFAOYSA-NMFCD01732810NSC 63892NSC-638921-(3',4'-dimethoxyphenyl)-2-methylpropanol
Database identifiers
- CAS
67031-41-8- PubChem CID
- 48898
- DTXSID
DTXSID001245366- ChEMBL
CHEMBL481043- Nikkaji
- J69.031G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Chemistry & industry
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…