5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol

C21H20O3 — CID 149387940

IUPAC5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(-c2cc(O)ccc2Oc2ccccc2)cc1O
InChIInChI=1S/C21H20O3/c1-14(2)18-10-8-15(12-20(18)23)19-13-16(22)9-11-21(19)24-17-6-4-3-5-7-17/h3-14,22-23H,1-2H3
InChIKeyYMYNUINTMSWDPV-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.68
Rot. Bonds4

About 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol

5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol (PubChem CID 149387940) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol
PubChem CID149387940
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(-c2cc(O)ccc2Oc2ccccc2)cc1O
InChIInChI=1S/C21H20O3/c1-14(2)18-10-8-15(12-20(18)23)19-13-16(22)9-11-21(19)24-17-6-4-3-5-7-17/h3-14,22-23H,1-2H3
InChIKeyYMYNUINTMSWDPV-UHFFFAOYSA-N
XLogP5.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol?
The IUPAC name of 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol (CID 149387940) is 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol is CC(C)c1ccc(-c2cc(O)ccc2Oc2ccccc2)cc1O.
What is the InChIKey of 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol?
The InChIKey is YMYNUINTMSWDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-14(2)18-10-8-15(12-20(18)23)19-13-16(22)9-11-21(19)24-17-6-4-3-5-7-17/h3-14,22-23H,1-2H3.
What are the key properties of 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol?
5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol has a molecular weight of 320.39 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol is sourced from PubChem (CID 149387940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).