2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol

C32H34O8 — CID 172870651

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
SMILESCOc1cc(CCc2cc(O)c(-c3cc(O)c(CCc4cc(OC)cc(OC)c4)cc3O)cc2O)cc(OC)c1
InChIInChI=1S/C32H34O8/c1-37-23-9-19(10-24(15-23)38-2)5-7-21-13-31(35)27(17-29(21)33)28-18-30(34)22(14-32(28)36)8-6-20-11-25(39-3)16-26(12-20)40-4/h9-18,33-36H,5-8H2,1-4H3
InChIKeyRMRGMYDJBLANMD-UHFFFAOYSA-N
MW546.62 g/mol
LogP5.78
Rot. Bonds11

About 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol

2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol (PubChem CID 172870651) has the molecular formula C32H34O8 and a molecular weight of 546.62 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
PubChem CID172870651
Molecular FormulaC32H34O8
Molecular Weight546.62 g/mol
Exact Mass546.23
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
SMILESCOc1cc(CCc2cc(O)c(-c3cc(O)c(CCc4cc(OC)cc(OC)c4)cc3O)cc2O)cc(OC)c1
InChIInChI=1S/C32H34O8/c1-37-23-9-19(10-24(15-23)38-2)5-7-21-13-31(35)27(17-29(21)33)28-18-30(34)22(14-32(28)36)8-6-20-11-25(39-3)16-26(12-20)40-4/h9-18,33-36H,5-8H2,1-4H3
InChIKeyRMRGMYDJBLANMD-UHFFFAOYSA-N
XLogP5.78
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
5-[2-[5-methoxy-2-[4-methoxy-2-[2-(3,4,5-trihydroxyphenyl)ethyl]phenyl]phenyl]ethyl]benzene-1,2,3-triol
CID 172870603
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
CID 172870666
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
CID 175822516
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
5-methoxy-2-propylphenol
CID 12836519
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol (CID 172870651) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol is COc1cc(CCc2cc(O)c(-c3cc(O)c(CCc4cc(OC)cc(OC)c4)cc3O)cc2O)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol?
The InChIKey is RMRGMYDJBLANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O8/c1-37-23-9-19(10-24(15-23)38-2)5-7-21-13-31(35)27(17-29(21)33)28-18-30(34)22(14-32(28)36)8-6-20-11-25(39-3)16-26(12-20)40-4/h9-18,33-36H,5-8H2,1-4H3.
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol?
2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol has a molecular weight of 546.62 g/mol, XLogP of 5.78, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol is sourced from PubChem (CID 172870651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).