4-(3-phenylphenoxy)-2-propan-2-ylphenol

C21H20O2 — CID 21466339

IUPAC4-(3-phenylphenoxy)-2-propan-2-ylphenol
SMILESCC(C)c1cc(Oc2cccc(-c3ccccc3)c2)ccc1O
InChIInChI=1S/C21H20O2/c1-15(2)20-14-19(11-12-21(20)22)23-18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-15,22H,1-2H3
InChIKeyOVNASLISWABQKA-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.97
Rot. Bonds4

About 4-(3-phenylphenoxy)-2-propan-2-ylphenol

4-(3-phenylphenoxy)-2-propan-2-ylphenol (PubChem CID 21466339) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(3-phenylphenoxy)-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(3-phenylphenoxy)-2-propan-2-ylphenol
PubChem CID21466339
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name4-(3-phenylphenoxy)-2-propan-2-ylphenol
SMILESCC(C)c1cc(Oc2cccc(-c3ccccc3)c2)ccc1O
InChIInChI=1S/C21H20O2/c1-15(2)20-14-19(11-12-21(20)22)23-18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-15,22H,1-2H3
InChIKeyOVNASLISWABQKA-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenoxy)-2-propan-2-ylphenol?
The IUPAC name of 4-(3-phenylphenoxy)-2-propan-2-ylphenol (CID 21466339) is 4-(3-phenylphenoxy)-2-propan-2-ylphenol.
What is the SMILES notation for 4-(3-phenylphenoxy)-2-propan-2-ylphenol?
The canonical SMILES for 4-(3-phenylphenoxy)-2-propan-2-ylphenol is CC(C)c1cc(Oc2cccc(-c3ccccc3)c2)ccc1O.
What is the InChIKey of 4-(3-phenylphenoxy)-2-propan-2-ylphenol?
The InChIKey is OVNASLISWABQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-15(2)20-14-19(11-12-21(20)22)23-18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-15,22H,1-2H3.
What are the key properties of 4-(3-phenylphenoxy)-2-propan-2-ylphenol?
4-(3-phenylphenoxy)-2-propan-2-ylphenol has a molecular weight of 304.39 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenoxy)-2-propan-2-ylphenol is sourced from PubChem (CID 21466339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).