1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol

C22H28O5 — CID 23245430

IUPAC1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol
SMILESCOc1cc(/C=C/c2ccc(OC)c(CC(O)C(C)(C)O)c2)cc(OC)c1
InChIInChI=1S/C22H28O5/c1-22(2,24)21(23)13-17-10-15(8-9-20(17)27-5)6-7-16-11-18(25-3)14-19(12-16)26-4/h6-12,14,21,23-24H,13H2,1-5H3/b7-6+
InChIKeyXPUFMWWCVOPELS-VOTSOKGWSA-N
MW372.46 g/mol
LogP3.56
Rot. Bonds8

About 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol

1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol (PubChem CID 23245430) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol
PubChem CID23245430
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol
SMILESCOc1cc(/C=C/c2ccc(OC)c(CC(O)C(C)(C)O)c2)cc(OC)c1
InChIInChI=1S/C22H28O5/c1-22(2,24)21(23)13-17-10-15(8-9-20(17)27-5)6-7-16-11-18(25-3)14-19(12-16)26-4/h6-12,14,21,23-24H,13H2,1-5H3/b7-6+
InChIKeyXPUFMWWCVOPELS-VOTSOKGWSA-N
XLogP3.56
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene
CID 155539368
[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44564060
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
CID 98016041
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
CID 25050180
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
CID 25050820

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol?
The IUPAC name of 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol (CID 23245430) is 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol?
The canonical SMILES for 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol is COc1cc(/C=C/c2ccc(OC)c(CC(O)C(C)(C)O)c2)cc(OC)c1.
What is the InChIKey of 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol?
The InChIKey is XPUFMWWCVOPELS-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H28O5/c1-22(2,24)21(23)13-17-10-15(8-9-20(17)27-5)6-7-16-11-18(25-3)14-19(12-16)26-4/h6-12,14,21,23-24H,13H2,1-5H3/b7-6+.
What are the key properties of 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol?
1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol has a molecular weight of 372.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol is sourced from PubChem (CID 23245430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).