(1S,2S)-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid
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Basic information
- CAS
64024-07-3- Standard SMILES
CC[C@H]1c2ccc3cc(OC)ccc3c2CC[C@]1(C)C(=O)O- InChIKey
HZZSXUIUESWVSS-HKUYNNGSSA-N- Molecular formula
- C19H22O3
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.15689456
Names & identifiers
- Preferred name
- (1S,2S)-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid
- IUPAC
- (1S,2S)-1-ethyl-7-methoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
- English name
- 3-Methoxy-16,17-secoestra-1,3,5,7,9-penten-17-oic acid
- Molecular formula
- C19H22O3
- Molecular weight
- 298.38
Names & synonyms
DTXSID701129832(1S,2S)-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid(1S,2S)-1-ethyl-7-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid64024-07-33-Methoxy-16,17-secoestra-1,3,5,7,9-penten-17-oic acid2-Phenanthrenecarboxylic acid, 1-ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-, (1S,2S)-
Database identifiers
- CAS
64024-07-3- PubChem CID
- 5284652
- DTXSID
DTXSID701129832- Nikkaji
- J62.754B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
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Compound notes
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