2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-
Basic information
- CAS
123886-70-4- Standard SMILES
COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCCCCl)cc1- InChIKey
SXOACFIXVKBUQZ-IZZNHLLZSA-N- Molecular formula
- C27H29ClO3
- Average molar mass
- 437 g/mol
- Monoisotopic mass
- 436.1805225
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-
- IUPAC
- (3S,4S)-4-[4-(3-chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromene
Names & synonyms
123886-70-42H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-DTXSID20154135RefChem:268108DTXCID5076626(3S,4S)-4-[4-(3-Chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-1-benzopyran
Database identifiers
- CAS
123886-70-4- PubChem CID
- 3079014
- DTXSID
DTXSID20154135
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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