1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene

C24H26O4 — CID 134969147

IUPAC1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene
SMILESCCOc1cc2ccccc2c(/C(OC)=C(\OC)c2ccccc2)c1OCC
InChIInChI=1S/C24H26O4/c1-5-27-20-16-18-14-10-11-15-19(18)21(23(20)28-6-2)24(26-4)22(25-3)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3/b24-22+
InChIKeyWQMHGVBGBVUPFZ-ZNTNEXAZSA-N
MW378.47 g/mol
LogP5.76
Rot. Bonds8

About 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene

1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene (PubChem CID 134969147) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene.

Molecular Properties

Compound Name1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene
PubChem CID134969147
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene
SMILESCCOc1cc2ccccc2c(/C(OC)=C(\OC)c2ccccc2)c1OCC
InChIInChI=1S/C24H26O4/c1-5-27-20-16-18-14-10-11-15-19(18)21(23(20)28-6-2)24(26-4)22(25-3)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3/b24-22+
InChIKeyWQMHGVBGBVUPFZ-ZNTNEXAZSA-N
XLogP5.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene?
The IUPAC name of 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene (CID 134969147) is 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene.
What is the SMILES notation for 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene?
The canonical SMILES for 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene is CCOc1cc2ccccc2c(/C(OC)=C(\OC)c2ccccc2)c1OCC.
What is the InChIKey of 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene?
The InChIKey is WQMHGVBGBVUPFZ-ZNTNEXAZSA-N. The full InChI is InChI=1S/C24H26O4/c1-5-27-20-16-18-14-10-11-15-19(18)21(23(20)28-6-2)24(26-4)22(25-3)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3/b24-22+.
What are the key properties of 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene?
1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene has a molecular weight of 378.47 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene is sourced from PubChem (CID 134969147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).