2,3-bis(4-methylphenyl)phenol

C20H18O — CID 175749747

IUPAC2,3-bis(4-methylphenyl)phenol
SMILESCc1ccc(-c2cccc(O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18O/c1-14-6-10-16(11-7-14)18-4-3-5-19(21)20(18)17-12-8-15(2)9-13-17/h3-13,21H,1-2H3
InChIKeyUOUORQRFPJJEOE-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.34
Rot. Bonds2

About 2,3-bis(4-methylphenyl)phenol

2,3-bis(4-methylphenyl)phenol (PubChem CID 175749747) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)phenol.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)phenol
PubChem CID175749747
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name2,3-bis(4-methylphenyl)phenol
SMILESCc1ccc(-c2cccc(O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18O/c1-14-6-10-16(11-7-14)18-4-3-5-19(21)20(18)17-12-8-15(2)9-13-17/h3-13,21H,1-2H3
InChIKeyUOUORQRFPJJEOE-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)phenol?
The IUPAC name of 2,3-bis(4-methylphenyl)phenol (CID 175749747) is 2,3-bis(4-methylphenyl)phenol.
What is the SMILES notation for 2,3-bis(4-methylphenyl)phenol?
The canonical SMILES for 2,3-bis(4-methylphenyl)phenol is Cc1ccc(-c2cccc(O)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)phenol?
The InChIKey is UOUORQRFPJJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-14-6-10-16(11-7-14)18-4-3-5-19(21)20(18)17-12-8-15(2)9-13-17/h3-13,21H,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)phenol?
2,3-bis(4-methylphenyl)phenol has a molecular weight of 274.36 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)phenol is sourced from PubChem (CID 175749747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).