2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol

C21H20O2 — CID 146449279

IUPAC2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol
SMILESCOCc1c(-c2ccccc2)cccc1-c1cc(C)ccc1O
InChIInChI=1S/C21H20O2/c1-15-11-12-21(22)19(13-15)18-10-6-9-17(20(18)14-23-2)16-7-4-3-5-8-16/h3-13,22H,14H2,1-2H3
InChIKeyNEUZUAOQLASICK-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.18
Rot. Bonds4

About 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol

2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol (PubChem CID 146449279) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol
PubChem CID146449279
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol
SMILESCOCc1c(-c2ccccc2)cccc1-c1cc(C)ccc1O
InChIInChI=1S/C21H20O2/c1-15-11-12-21(22)19(13-15)18-10-6-9-17(20(18)14-23-2)16-7-4-3-5-8-16/h3-13,22H,14H2,1-2H3
InChIKeyNEUZUAOQLASICK-UHFFFAOYSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol?
The IUPAC name of 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol (CID 146449279) is 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol.
What is the SMILES notation for 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol?
The canonical SMILES for 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol is COCc1c(-c2ccccc2)cccc1-c1cc(C)ccc1O.
What is the InChIKey of 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol?
The InChIKey is NEUZUAOQLASICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-15-11-12-21(22)19(13-15)18-10-6-9-17(20(18)14-23-2)16-7-4-3-5-8-16/h3-13,22H,14H2,1-2H3.
What are the key properties of 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol?
2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol has a molecular weight of 304.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol is sourced from PubChem (CID 146449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).