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

C30H32O4 — CID 164967326

IUPAC2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
SMILESCc1cccc(Cc2cccc(C)c2O)c1O.Cc1cccc(Cc2cccc(C)c2O)c1O
InChIInChI=1S/2C15H16O2/c2*1-10-5-3-7-12(14(10)16)9-13-8-4-6-11(2)15(13)17/h2*3-8,16-17H,9H2,1-2H3
InChIKeyCQPKASPUJOFVTK-UHFFFAOYSA-N
MW456.58 g/mol
LogP6.61
Rot. Bonds4

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

2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol (PubChem CID 164967326) has the molecular formula C30H32O4 and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
PubChem CID164967326
Molecular FormulaC30H32O4
Molecular Weight456.58 g/mol
Exact Mass456.23
IUPAC Name2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
SMILESCc1cccc(Cc2cccc(C)c2O)c1O.Cc1cccc(Cc2cccc(C)c2O)c1O
InChIInChI=1S/2C15H16O2/c2*1-10-5-3-7-12(14(10)16)9-13-8-4-6-11(2)15(13)17/h2*3-8,16-17H,9H2,1-2H3
InChIKeyCQPKASPUJOFVTK-UHFFFAOYSA-N
XLogP6.61
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
CID 54300976
2-[(3-hydroxy-4-methylphenyl)methyl]-6-methylphenol
CID 66843449
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
CID 71653781
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052
2-(2-bromoethyl)-6-methylphenol
CID 21464053
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
2-methyl-6-[2-methyl-2-(methylamino)propyl]phenol
CID 83698359
2-methyl-6-prop-2-ynylphenol
CID 19103109

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The IUPAC name of 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol (CID 164967326) is 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol is Cc1cccc(Cc2cccc(C)c2O)c1O.Cc1cccc(Cc2cccc(C)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The InChIKey is CQPKASPUJOFVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16O2/c2*1-10-5-3-7-12(14(10)16)9-13-8-4-6-11(2)15(13)17/h2*3-8,16-17H,9H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol has a molecular weight of 456.58 g/mol, XLogP of 6.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol is sourced from PubChem (CID 164967326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).