4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol

C34H38O5 — CID 70442236

IUPAC4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
SMILESCc1cc(Oc2ccc(O)c(CC(C)C)c2)cc(C)c1Oc1ccc(Oc2ccc(O)c(CC(C)C)c2)cc1
InChIInChI=1S/C34H38O5/c1-21(2)15-25-19-29(11-13-32(25)35)37-27-7-9-28(10-8-27)39-34-23(5)17-31(18-24(34)6)38-30-12-14-33(36)26(20-30)16-22(3)4/h7-14,17-22,35-36H,15-16H2,1-6H3
InChIKeySRWBZNKVRPYDTK-UHFFFAOYSA-N
MW526.67 g/mol
LogP9.49
Rot. Bonds10

About 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol

4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol (PubChem CID 70442236) has the molecular formula C34H38O5 and a molecular weight of 526.67 g/mol. Its IUPAC name is 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
PubChem CID70442236
Molecular FormulaC34H38O5
Molecular Weight526.67 g/mol
Exact Mass526.27
IUPAC Name4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
SMILESCc1cc(Oc2ccc(O)c(CC(C)C)c2)cc(C)c1Oc1ccc(Oc2ccc(O)c(CC(C)C)c2)cc1
InChIInChI=1S/C34H38O5/c1-21(2)15-25-19-29(11-13-32(25)35)37-27-7-9-28(10-8-27)39-34-23(5)17-31(18-24(34)6)38-30-12-14-33(36)26(20-30)16-22(3)4/h7-14,17-22,35-36H,15-16H2,1-6H3
InChIKeySRWBZNKVRPYDTK-UHFFFAOYSA-N
XLogP9.49
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.67
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol?
The IUPAC name of 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol (CID 70442236) is 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol.
What is the SMILES notation for 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol?
The canonical SMILES for 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol is Cc1cc(Oc2ccc(O)c(CC(C)C)c2)cc(C)c1Oc1ccc(Oc2ccc(O)c(CC(C)C)c2)cc1.
What is the InChIKey of 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol?
The InChIKey is SRWBZNKVRPYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O5/c1-21(2)15-25-19-29(11-13-32(25)35)37-27-7-9-28(10-8-27)39-34-23(5)17-31(18-24(34)6)38-30-12-14-33(36)26(20-30)16-22(3)4/h7-14,17-22,35-36H,15-16H2,1-6H3.
What are the key properties of 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol?
4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol has a molecular weight of 526.67 g/mol, XLogP of 9.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol is sourced from PubChem (CID 70442236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).