4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol

C31H32O4 — CID 58792408

IUPAC4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
SMILESCc1cc(C(C)(C)c2cc(C)c(Oc3ccc(O)cc3)c(C)c2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C31H32O4/c1-19-15-23(16-20(2)29(19)34-27-11-7-25(32)8-12-27)31(5,6)24-17-21(3)30(22(4)18-24)35-28-13-9-26(33)10-14-28/h7-18,32-33H,1-6H3
InChIKeyMSSCLAQTPFUBDO-UHFFFAOYSA-N
MW468.59 g/mol
LogP8.24
Rot. Bonds6

About 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol

4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol (PubChem CID 58792408) has the molecular formula C31H32O4 and a molecular weight of 468.59 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol.

Molecular Properties

Compound Name4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
PubChem CID58792408
Molecular FormulaC31H32O4
Molecular Weight468.59 g/mol
Exact Mass468.23
IUPAC Name4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
SMILESCc1cc(C(C)(C)c2cc(C)c(Oc3ccc(O)cc3)c(C)c2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C31H32O4/c1-19-15-23(16-20(2)29(19)34-27-11-7-25(32)8-12-27)31(5,6)24-17-21(3)30(22(4)18-24)35-28-13-9-26(33)10-14-28/h7-18,32-33H,1-6H3
InChIKeyMSSCLAQTPFUBDO-UHFFFAOYSA-N
XLogP8.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol with MolForge

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Related Compounds

4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
CID 14710986
4-[2-(3,5-dimethylphenyl)propan-2-yl]phenol
CID 174786384
3-[4-[2-[4-[2-[4-(3-aminophenoxy)-3,5-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]aniline
CID 22402603
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
2-(4-hydroxyphenoxy)benzene-1,3,5-triol
CID 14020522
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504805
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol?
The IUPAC name of 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol (CID 58792408) is 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol.
What is the SMILES notation for 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol?
The canonical SMILES for 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol is Cc1cc(C(C)(C)c2cc(C)c(Oc3ccc(O)cc3)c(C)c2)cc(C)c1Oc1ccc(O)cc1.
What is the InChIKey of 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol?
The InChIKey is MSSCLAQTPFUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4/c1-19-15-23(16-20(2)29(19)34-27-11-7-25(32)8-12-27)31(5,6)24-17-21(3)30(22(4)18-24)35-28-13-9-26(33)10-14-28/h7-18,32-33H,1-6H3.
What are the key properties of 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol?
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol has a molecular weight of 468.59 g/mol, XLogP of 8.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol is sourced from PubChem (CID 58792408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).