4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol

C21H28O4 — CID 145357107

IUPAC4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol
SMILESCCC(C)(OCCC(C)(C)Oc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H28O4/c1-5-21(4,16-6-8-17(22)9-7-16)24-15-14-20(2,3)25-19-12-10-18(23)11-13-19/h6-13,22-23H,5,14-15H2,1-4H3
InChIKeyBAFXYBZJUBLZCP-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.99
Rot. Bonds8

About 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol

4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol (PubChem CID 145357107) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol
PubChem CID145357107
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol
SMILESCCC(C)(OCCC(C)(C)Oc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H28O4/c1-5-21(4,16-6-8-17(22)9-7-16)24-15-14-20(2,3)25-19-12-10-18(23)11-13-19/h6-13,22-23H,5,14-15H2,1-4H3
InChIKeyBAFXYBZJUBLZCP-UHFFFAOYSA-N
XLogP4.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol
CID 143325760
4-(1-hydroxy-2-methylpropan-2-yl)oxyphenol
CID 67201302
4-ethyl-4-[3-ethyl-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]pentoxy]-2-methylhex-1-en-3-one
CID 123631626
3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
4-[4-[2-[4-[4-[4-[4-(2-hydroxypentan-2-yl)phenyl]phenoxy]phenyl]sulfonylphenyl]butan-2-yloxy]phenyl]phenol
CID 145180657
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
[2-methyl-4-[2-[4-[2-[4-[2-(3-methyl-3-prop-2-enoyloxybutoxy)butan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butan-2-yl] prop-2-enoate
CID 123748451
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
5-[3-(4-ethylphenoxy)-3-methylbutoxy]-5-methylheptan-2-one
CID 146406541
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
ethane;bis(2-methyl-2-[3-methyl-3-(4-methylphenoxy)butoxy]propan-1-amine)
CID 153334126

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol?
The IUPAC name of 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol (CID 145357107) is 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol.
What is the SMILES notation for 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol?
The canonical SMILES for 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol is CCC(C)(OCCC(C)(C)Oc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol?
The InChIKey is BAFXYBZJUBLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-5-21(4,16-6-8-17(22)9-7-16)24-15-14-20(2,3)25-19-12-10-18(23)11-13-19/h6-13,22-23H,5,14-15H2,1-4H3.
What are the key properties of 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol?
4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol has a molecular weight of 344.45 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-hydroxyphenoxy)-3-methylbutoxy]butan-2-yl]phenol is sourced from PubChem (CID 145357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).