4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol

C32H34O6 — CID 172870584

IUPAC4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
SMILESCOc1cc(OC)c(-c2cc(CCc3ccc(O)cc3)c(OC)cc2OC)cc1CCc1ccc(O)cc1
InChIInChI=1S/C32H34O6/c1-35-29-19-31(37-3)27(17-23(29)11-5-21-7-13-25(33)14-8-21)28-18-24(30(36-2)20-32(28)38-4)12-6-22-9-15-26(34)16-10-22/h7-10,13-20,33-34H,5-6,11-12H2,1-4H3
InChIKeyNLBOXXZADFOVPR-UHFFFAOYSA-N
MW514.62 g/mol
LogP6.37
Rot. Bonds11

About 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol

4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol (PubChem CID 172870584) has the molecular formula C32H34O6 and a molecular weight of 514.62 g/mol. Its IUPAC name is 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
PubChem CID172870584
Molecular FormulaC32H34O6
Molecular Weight514.62 g/mol
Exact Mass514.24
IUPAC Name4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
SMILESCOc1cc(OC)c(-c2cc(CCc3ccc(O)cc3)c(OC)cc2OC)cc1CCc1ccc(O)cc1
InChIInChI=1S/C32H34O6/c1-35-29-19-31(37-3)27(17-23(29)11-5-21-7-13-25(33)14-8-21)28-18-24(30(36-2)20-32(28)38-4)12-6-22-9-15-26(34)16-10-22/h7-10,13-20,33-34H,5-6,11-12H2,1-4H3
InChIKeyNLBOXXZADFOVPR-UHFFFAOYSA-N
XLogP6.37
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol with MolForge

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Related Compounds

5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol
CID 172870578
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
CID 172870671
4-[2-[4-[4-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethoxyphenyl]-2,5-dimethoxyphenyl]ethyl]benzene-1,2-diol
CID 172870660
1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
CID 172870474
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
CID 172871379
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol
CID 172870463
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol?
The IUPAC name of 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol (CID 172870584) is 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol is COc1cc(OC)c(-c2cc(CCc3ccc(O)cc3)c(OC)cc2OC)cc1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol?
The InChIKey is NLBOXXZADFOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O6/c1-35-29-19-31(37-3)27(17-23(29)11-5-21-7-13-25(33)14-8-21)28-18-24(30(36-2)20-32(28)38-4)12-6-22-9-15-26(34)16-10-22/h7-10,13-20,33-34H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol?
4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol has a molecular weight of 514.62 g/mol, XLogP of 6.37, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol is sourced from PubChem (CID 172870584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).