2,3-dimethyl-4-phenylphenol

C14H14O — CID 57091246

IUPAC2,3-dimethyl-4-phenylphenol
SMILESCc1c(O)ccc(-c2ccccc2)c1C
InChIInChI=1S/C14H14O/c1-10-11(2)14(15)9-8-13(10)12-6-4-3-5-7-12/h3-9,15H,1-2H3
InChIKeyMZNYCGRZWFERLX-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.68
Rot. Bonds1

About 2,3-dimethyl-4-phenylphenol

2,3-dimethyl-4-phenylphenol (PubChem CID 57091246) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenylphenol.

Molecular Properties

Compound Name2,3-dimethyl-4-phenylphenol
PubChem CID57091246
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2,3-dimethyl-4-phenylphenol
SMILESCc1c(O)ccc(-c2ccccc2)c1C
InChIInChI=1S/C14H14O/c1-10-11(2)14(15)9-8-13(10)12-6-4-3-5-7-12/h3-9,15H,1-2H3
InChIKeyMZNYCGRZWFERLX-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenylphenol?
The IUPAC name of 2,3-dimethyl-4-phenylphenol (CID 57091246) is 2,3-dimethyl-4-phenylphenol.
What is the SMILES notation for 2,3-dimethyl-4-phenylphenol?
The canonical SMILES for 2,3-dimethyl-4-phenylphenol is Cc1c(O)ccc(-c2ccccc2)c1C.
What is the InChIKey of 2,3-dimethyl-4-phenylphenol?
The InChIKey is MZNYCGRZWFERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-10-11(2)14(15)9-8-13(10)12-6-4-3-5-7-12/h3-9,15H,1-2H3.
What are the key properties of 2,3-dimethyl-4-phenylphenol?
2,3-dimethyl-4-phenylphenol has a molecular weight of 198.26 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenylphenol is sourced from PubChem (CID 57091246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).