2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol

C21H20O3 — CID 141022269

IUPAC2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
SMILESCc1cccc(C(c2ccccc2O)c2cccc(C)c2O)c1O
InChIInChI=1S/C21H20O3/c1-13-7-5-10-16(20(13)23)19(15-9-3-4-12-18(15)22)17-11-6-8-14(2)21(17)24/h3-12,19,22-24H,1-2H3
InChIKeyCTLYEUBSGPFVPA-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.60
Rot. Bonds3

About 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol

2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol (PubChem CID 141022269) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
PubChem CID141022269
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
SMILESCc1cccc(C(c2ccccc2O)c2cccc(C)c2O)c1O
InChIInChI=1S/C21H20O3/c1-13-7-5-10-16(20(13)23)19(15-9-3-4-12-18(15)22)17-11-6-8-14(2)21(17)24/h3-12,19,22-24H,1-2H3
InChIKeyCTLYEUBSGPFVPA-UHFFFAOYSA-N
XLogP4.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-benzhydryl-6-methylphenol
CID 154120751
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
3-methylbenzene-1,2-diol
CID 135381405
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
benzene-1,2,3-triol;1,2-xylene
CID 175355365
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
3-chloro-1-(2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 171861661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol?
The IUPAC name of 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol (CID 141022269) is 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol is Cc1cccc(C(c2ccccc2O)c2cccc(C)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol?
The InChIKey is CTLYEUBSGPFVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-13-7-5-10-16(20(13)23)19(15-9-3-4-12-18(15)22)17-11-6-8-14(2)21(17)24/h3-12,19,22-24H,1-2H3.
What are the key properties of 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol?
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol has a molecular weight of 320.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol is sourced from PubChem (CID 141022269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).