3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol

C21H20O3 — CID 67275456

IUPAC3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol
SMILESCC(C)Oc1ccccc1Oc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H20O3/c1-15(2)23-20-8-3-4-9-21(20)24-19-12-10-16(11-13-19)17-6-5-7-18(22)14-17/h3-15,22H,1-2H3
InChIKeyYLFSYXIISWRJNT-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.64
Rot. Bonds5

About 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol

3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol (PubChem CID 67275456) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol
PubChem CID67275456
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol
SMILESCC(C)Oc1ccccc1Oc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H20O3/c1-15(2)23-20-8-3-4-9-21(20)24-19-12-10-16(11-13-19)17-6-5-7-18(22)14-17/h3-15,22H,1-2H3
InChIKeyYLFSYXIISWRJNT-UHFFFAOYSA-N
XLogP5.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol?
The IUPAC name of 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol (CID 67275456) is 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol.
What is the SMILES notation for 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol?
The canonical SMILES for 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol is CC(C)Oc1ccccc1Oc1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol?
The InChIKey is YLFSYXIISWRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-15(2)23-20-8-3-4-9-21(20)24-19-12-10-16(11-13-19)17-6-5-7-18(22)14-17/h3-15,22H,1-2H3.
What are the key properties of 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol?
3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol is sourced from PubChem (CID 67275456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).