4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene

C24H28O4 — CID 53494256

IUPAC4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C/[C@@H]2CCC=C[C@H]2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H28O4/c1-25-21-13-10-17(15-23(21)27-3)9-11-18-7-5-6-8-20(18)19-12-14-22(26-2)24(16-19)28-4/h6,8-16,18,20H,5,7H2,1-4H3/b11-9+/t18-,20+/m0/s1
InChIKeyPHLVYOUORNHOLU-UZOQORDWSA-N
MW380.48 g/mol
LogP5.48
Rot. Bonds7

About 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene

4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene (PubChem CID 53494256) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene
PubChem CID53494256
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C/[C@@H]2CCC=C[C@H]2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H28O4/c1-25-21-13-10-17(15-23(21)27-3)9-11-18-7-5-6-8-20(18)19-12-14-22(26-2)24(16-19)28-4/h6,8-16,18,20H,5,7H2,1-4H3/b11-9+/t18-,20+/m0/s1
InChIKeyPHLVYOUORNHOLU-UZOQORDWSA-N
XLogP5.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 7127
CID 7127
CID 65373
CID 65373
CID 71245
CID 71245
CID 5502
CID 5502
CID 10248
CID 10248
CID 637776
CID 637776
CID 476861
CID 476861
CID 1549045
CID 1549045
CID 11943
CID 11943
CID 764139
CID 764139
CID 61400
CID 61400
CID 7128
CID 7128

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene (CID 53494256) is 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene is COc1ccc(/C=C/[C@@H]2CCC=C[C@H]2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene?
The InChIKey is PHLVYOUORNHOLU-UZOQORDWSA-N. The full InChI is InChI=1S/C24H28O4/c1-25-21-13-10-17(15-23(21)27-3)9-11-18-7-5-6-8-20(18)19-12-14-22(26-2)24(16-19)28-4/h6,8-16,18,20H,5,7H2,1-4H3/b11-9+/t18-,20+/m0/s1.
What are the key properties of 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene?
4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene has a molecular weight of 380.48 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 53494256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).