2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol

C17H18O5 — CID 102473199

IUPAC2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol
SMILESCOc1ccc(/C=C(\O)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C17H18O5/c1-20-12-6-4-11(5-7-12)8-14(18)17-15(19)9-13(21-2)10-16(17)22-3/h4-10,18-19H,1-3H3/b14-8-
InChIKeyOIYAUBZOROPGCB-ZSOIEALJSA-N
MW302.33 g/mol
LogP3.47
Rot. Bonds5

About 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol

2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol (PubChem CID 102473199) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol
PubChem CID102473199
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol
SMILESCOc1ccc(/C=C(\O)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C17H18O5/c1-20-12-6-4-11(5-7-12)8-14(18)17-15(19)9-13(21-2)10-16(17)22-3/h4-10,18-19H,1-3H3/b14-8-
InChIKeyOIYAUBZOROPGCB-ZSOIEALJSA-N
XLogP3.47
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
CID 10857946
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 174844694
(Z)-3-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 98822160
3-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 3938424
2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 123758445
2-[(E)-1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89202401
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 6440299
1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
CID 606999
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
[4-[3-(4-acetyloxy-2-hydroxy-6-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 74110996

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol (CID 102473199) is 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol is COc1ccc(/C=C(\O)c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol?
The InChIKey is OIYAUBZOROPGCB-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-12-6-4-11(5-7-12)8-14(18)17-15(19)9-13(21-2)10-16(17)22-3/h4-10,18-19H,1-3H3/b14-8-.
What are the key properties of 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol?
2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol has a molecular weight of 302.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 102473199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).