4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol

C35H40O4 — CID 139764904

IUPAC4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol
SMILESCCC(C)c1cc(C(C)(C)c2ccc(Oc3ccc(O)cc3)c(C(C)CC)c2)ccc1Oc1ccc(O)cc1
InChIInChI=1S/C35H40O4/c1-7-23(3)31-21-25(9-19-33(31)38-29-15-11-27(36)12-16-29)35(5,6)26-10-20-34(32(22-26)24(4)8-2)39-30-17-13-28(37)14-18-30/h9-24,36-37H,7-8H2,1-6H3
InChIKeyLJUDGMPFGADGJN-UHFFFAOYSA-N
MW524.70 g/mol
LogP10.04
Rot. Bonds10

About 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol

4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol (PubChem CID 139764904) has the molecular formula C35H40O4 and a molecular weight of 524.70 g/mol. Its IUPAC name is 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol.

Molecular Properties

Compound Name4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol
PubChem CID139764904
Molecular FormulaC35H40O4
Molecular Weight524.70 g/mol
Exact Mass524.29
IUPAC Name4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol
SMILESCCC(C)c1cc(C(C)(C)c2ccc(Oc3ccc(O)cc3)c(C(C)CC)c2)ccc1Oc1ccc(O)cc1
InChIInChI=1S/C35H40O4/c1-7-23(3)31-21-25(9-19-33(31)38-29-15-11-27(36)12-16-29)35(5,6)26-10-20-34(32(22-26)24(4)8-2)39-30-17-13-28(37)14-18-30/h9-24,36-37H,7-8H2,1-6H3
InChIKeyLJUDGMPFGADGJN-UHFFFAOYSA-N
XLogP10.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol with MolForge

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Related Compounds

2-butan-2-yl-4-[2-[3-butan-2-yl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]-1-(1,1,2,2-tetrafluoroethoxy)benzene
CID 101009408
4-[4-[2-[4-(4-aminophenoxy)-3-propan-2-ylphenyl]propan-2-yl]-2-propan-2-ylphenoxy]aniline
CID 22908520
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 18943218
4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
CID 21466412
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol
CID 70641733
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
CID 58792408
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
CID 14710986

Frequently Asked Questions

What is the IUPAC name of 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol?
The IUPAC name of 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol (CID 139764904) is 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol.
What is the SMILES notation for 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol?
The canonical SMILES for 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol is CCC(C)c1cc(C(C)(C)c2ccc(Oc3ccc(O)cc3)c(C(C)CC)c2)ccc1Oc1ccc(O)cc1.
What is the InChIKey of 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol?
The InChIKey is LJUDGMPFGADGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O4/c1-7-23(3)31-21-25(9-19-33(31)38-29-15-11-27(36)12-16-29)35(5,6)26-10-20-34(32(22-26)24(4)8-2)39-30-17-13-28(37)14-18-30/h9-24,36-37H,7-8H2,1-6H3.
What are the key properties of 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol?
4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol has a molecular weight of 524.70 g/mol, XLogP of 10.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol is sourced from PubChem (CID 139764904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).