4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol

C30H30O4 — CID 172870671

IUPAC4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
SMILESCOc1cc(-c2ccc(CCc3ccc(O)cc3)c(OC)c2)ccc1CCc1ccc(O)cc1
InChIInChI=1S/C30H30O4/c1-33-29-19-25(13-11-23(29)9-3-21-5-15-27(31)16-6-21)26-14-12-24(30(20-26)34-2)10-4-22-7-17-28(32)18-8-22/h5-8,11-20,31-32H,3-4,9-10H2,1-2H3
InChIKeyQBAHFJMOGASCJE-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.35
Rot. Bonds9

About 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol

4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol (PubChem CID 172870671) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
PubChem CID172870671
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
SMILESCOc1cc(-c2ccc(CCc3ccc(O)cc3)c(OC)c2)ccc1CCc1ccc(O)cc1
InChIInChI=1S/C30H30O4/c1-33-29-19-25(13-11-23(29)9-3-21-5-15-27(31)16-6-21)26-14-12-24(30(20-26)34-2)10-4-22-7-17-28(32)18-8-22/h5-8,11-20,31-32H,3-4,9-10H2,1-2H3
InChIKeyQBAHFJMOGASCJE-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

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Related Compounds

4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
CID 172870584
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
CID 172871379
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
2-methoxy-1-(methoxymethyl)-4-(4-methylphenyl)benzene
CID 143812993
[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652316

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol?
The IUPAC name of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol (CID 172870671) is 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol.
What is the SMILES notation for 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol?
The canonical SMILES for 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol is COc1cc(-c2ccc(CCc3ccc(O)cc3)c(OC)c2)ccc1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol?
The InChIKey is QBAHFJMOGASCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4/c1-33-29-19-25(13-11-23(29)9-3-21-5-15-27(31)16-6-21)26-14-12-24(30(20-26)34-2)10-4-22-7-17-28(32)18-8-22/h5-8,11-20,31-32H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol?
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]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-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol is sourced from PubChem (CID 172870671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).