4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol

C27H24O2 — CID 13059052

IUPAC4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
SMILESCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C27H24O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h3-18,28-29H,1-2H3
InChIKeyBKTRENAPTCBBFA-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.76
Rot. Bonds4

About 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol

4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol (PubChem CID 13059052) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
PubChem CID13059052
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
SMILESCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C27H24O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h3-18,28-29H,1-2H3
InChIKeyBKTRENAPTCBBFA-UHFFFAOYSA-N
XLogP6.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol (CID 13059052) is 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol is CC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
The InChIKey is BKTRENAPTCBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h3-18,28-29H,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol has a molecular weight of 380.49 g/mol, XLogP of 6.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol is sourced from PubChem (CID 13059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).