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

C23H26O4 — CID 101465274

IUPAC4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/[C@H]2CCC=C[C@@H]2c2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C23H26O4/c1-25-21-13-11-18(15-23(21)27-3)19-7-5-4-6-17(19)10-8-16-9-12-20(24)22(14-16)26-2/h5,7-15,17,19,24H,4,6H2,1-3H3/b10-8+/t17-,19+/m1/s1
InChIKeySPFYZVLMVSWGCD-BULUQRFKSA-N
MW366.46 g/mol
LogP5.18
Rot. Bonds6

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

4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol (PubChem CID 101465274) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol
PubChem CID101465274
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/[C@H]2CCC=C[C@@H]2c2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C23H26O4/c1-25-21-13-11-18(15-23(21)27-3)19-7-5-4-6-17(19)10-8-16-9-12-20(24)22(14-16)26-2/h5,7-15,17,19,24H,4,6H2,1-3H3/b10-8+/t17-,19+/m1/s1
InChIKeySPFYZVLMVSWGCD-BULUQRFKSA-N
XLogP5.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2S,6S)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
CID 163015251
(E)-1-[(2R)-2-(3,4-dimethoxyphenyl)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohex-3-en-1-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 118728407
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 174881612
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol (CID 101465274) is 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/[C@H]2CCC=C[C@@H]2c2ccc(OC)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol?
The InChIKey is SPFYZVLMVSWGCD-BULUQRFKSA-N. The full InChI is InChI=1S/C23H26O4/c1-25-21-13-11-18(15-23(21)27-3)19-7-5-4-6-17(19)10-8-16-9-12-20(24)22(14-16)26-2/h5,7-15,17,19,24H,4,6H2,1-3H3/b10-8+/t17-,19+/m1/s1.
What are the key properties of 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol has a molecular weight of 366.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 101465274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).