Basic information
- CAS
84872-84-4- Standard SMILES
Cc1cc2c(c(O)c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
JTWXFIVAPGTLBX-GPQWERQGSA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.18819469
Names & identifiers
- Preferred name
- 4-Hydroxy-2-methylestradiol
- IUPAC
- (8R,9S,13S,14S,17S)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
- English name
- 4-hydroxy-2-methylestradiol
- Molecular formula
- C19H26O3
- Molecular weight
- 302.41
Names & synonyms
4-Hydroxy-2-methylestradiol84872-84-4Estra-1,3,5(10)-triene-3,4,17-triol, 2-methyl-, (17beta)-RefChem:99161(8R,9S,13S,14S,17S)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triolDTXSID8010051562-Methylestra-1,3,5(10)-triene-3,4,17-triol2-Methylestra-1,3,5(10)-triene-3,4,17beta-triolEstra-1,3,5(10)-triene-3,4,17-triol, 2-methyl-, (17β)- (9CI)
Database identifiers
- CAS
84872-84-4- PubChem CID
- 67102
- DTXSID
DTXSID801005156
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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