4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol

C30H30O4 — CID 172870463

IUPAC4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol
SMILESCOc1ccc(CCc2ccc(OC)c(-c3cc(CCc4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C30H30O4/c1-33-26-15-9-22(10-16-26)4-6-24-12-18-30(34-2)28(20-24)27-19-23(11-17-29(27)32)5-3-21-7-13-25(31)14-8-21/h7-20,31-32H,3-6H2,1-2H3
InChIKeyKJZLKOINURKYCV-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.35
Rot. Bonds9

About 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol

4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol (PubChem CID 172870463) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol
PubChem CID172870463
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol
SMILESCOc1ccc(CCc2ccc(OC)c(-c3cc(CCc4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C30H30O4/c1-33-26-15-9-22(10-16-26)4-6-24-12-18-30(34-2)28(20-24)27-19-23(11-17-29(27)32)5-3-21-7-13-25(31)14-8-21/h7-20,31-32H,3-6H2,1-2H3
InChIKeyKJZLKOINURKYCV-UHFFFAOYSA-N
XLogP6.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol with MolForge

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Related Compounds

3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
CID 172870584
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
CID 70230717
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172870512
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol
CID 172871276
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol (CID 172870463) is 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol is COc1ccc(CCc2ccc(OC)c(-c3cc(CCc4ccc(O)cc4)ccc3O)c2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol?
The InChIKey is KJZLKOINURKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4/c1-33-26-15-9-22(10-16-26)4-6-24-12-18-30(34-2)28(20-24)27-19-23(11-17-29(27)32)5-3-21-7-13-25(31)14-8-21/h7-20,31-32H,3-6H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol?
4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol has a molecular weight of 454.57 g/mol, XLogP of 6.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol is sourced from PubChem (CID 172870463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).