2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-
Basic information
- CAS
123886-64-6- Standard SMILES
COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc(OCCCCl)cc1- InChIKey
BIOQXYHXQAUGDU-UHFFFAOYSA-N- Molecular formula
- C27H27ClO3
- Average molar mass
- 435 g/mol
- Monoisotopic mass
- 434.1648724
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-
- IUPAC
- 4-[4-(3-chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenylchromene
Names & synonyms
2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(3-Chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran123886-64-6DTXSID201541304-[4-(3-Chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyranRefChem:268109DTXCID0076621
Database identifiers
- CAS
123886-64-6- PubChem CID
- 3079009
- DTXSID
DTXSID20154130
Properties
Computed structural properties
- XLogP
- 6.1
- 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
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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