2-[4-(2-phenylpropan-2-yl)phenoxy]phenol

C21H20O2 — CID 57058375

IUPAC2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccccc2O)cc1
InChIInChI=1S/C21H20O2/c1-21(2,16-8-4-3-5-9-16)17-12-14-18(15-13-17)23-20-11-7-6-10-19(20)22/h3-15,22H,1-2H3
InChIKeyVHZCBQXMDVQYDC-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.51
Rot. Bonds4

About 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol

2-[4-(2-phenylpropan-2-yl)phenoxy]phenol (PubChem CID 57058375) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol.

Molecular Properties

Compound Name2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
PubChem CID57058375
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccccc2O)cc1
InChIInChI=1S/C21H20O2/c1-21(2,16-8-4-3-5-9-16)17-12-14-18(15-13-17)23-20-11-7-6-10-19(20)22/h3-15,22H,1-2H3
InChIKeyVHZCBQXMDVQYDC-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
2-(4-methoxyphenoxy)phenol
CID 54145402
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
4-[4-(2-phenylpropan-2-yl)phenoxy]benzenecarbothioamide
CID 20986191
2-(4-iodophenoxy)phenol
CID 90870706
2-phenylpropan-2-ylbenzene
CID 13065
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol?
The IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol (CID 57058375) is 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol.
What is the SMILES notation for 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol?
The canonical SMILES for 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol is CC(C)(c1ccccc1)c1ccc(Oc2ccccc2O)cc1.
What is the InChIKey of 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol?
The InChIKey is VHZCBQXMDVQYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-21(2,16-8-4-3-5-9-16)17-12-14-18(15-13-17)23-20-11-7-6-10-19(20)22/h3-15,22H,1-2H3.
What are the key properties of 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol?
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol has a molecular weight of 304.39 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylpropan-2-yl)phenoxy]phenol is sourced from PubChem (CID 57058375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).