2-methylphenol;bis(4-methylphenol)

C21H24O3 — CID 160575641

IUPAC2-methylphenol;bis(4-methylphenol)
SMILESCc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccccc1O
InChIInChI=1S/3C7H8O/c2*1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3
InChIKeyRBCNEFDYYSTXHT-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.10
Rot. Bonds

About 2-methylphenol;bis(4-methylphenol)

2-methylphenol;bis(4-methylphenol) (PubChem CID 160575641) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methylphenol;bis(4-methylphenol).

Molecular Properties

Compound Name2-methylphenol;bis(4-methylphenol)
PubChem CID160575641
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-methylphenol;bis(4-methylphenol)
SMILESCc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccccc1O
InChIInChI=1S/3C7H8O/c2*1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3
InChIKeyRBCNEFDYYSTXHT-UHFFFAOYSA-N
XLogP5.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylphenol;bis(4-methylphenol)?
The IUPAC name of 2-methylphenol;bis(4-methylphenol) (CID 160575641) is 2-methylphenol;bis(4-methylphenol).
What is the SMILES notation for 2-methylphenol;bis(4-methylphenol)?
The canonical SMILES for 2-methylphenol;bis(4-methylphenol) is Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccccc1O.
What is the InChIKey of 2-methylphenol;bis(4-methylphenol)?
The InChIKey is RBCNEFDYYSTXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8O/c2*1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3.
What are the key properties of 2-methylphenol;bis(4-methylphenol)?
2-methylphenol;bis(4-methylphenol) has a molecular weight of 324.42 g/mol, XLogP of 5.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphenol;bis(4-methylphenol) is sourced from PubChem (CID 160575641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).