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4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol

C25H28O — CID 58381771

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
SMILESCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C25H28O/c1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22/h6-17,26H,1-5H3
InChIKeyVSKSCYUQQCIVKB-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.35
Rot. Bonds4

About 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol

4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol (PubChem CID 58381771) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
PubChem CID58381771
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
SMILESCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C25H28O/c1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22/h6-17,26H,1-5H3
InChIKeyVSKSCYUQQCIVKB-UHFFFAOYSA-N
XLogP6.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol (CID 58381771) is 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol is Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol?
The InChIKey is VSKSCYUQQCIVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22/h6-17,26H,1-5H3.
What are the key properties of 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol?
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol has a molecular weight of 344.50 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 58381771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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