2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol

C18H22O2 — CID 86162774

IUPAC2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2cccc(C(C)(C)C)c2O)c1
InChIInChI=1S/C18H22O2/c1-12-8-9-16(19)14(10-12)11-13-6-5-7-15(17(13)20)18(2,3)4/h5-10,19-20H,11H2,1-4H3
InChIKeyMXTPDKVRUFRSKP-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.29
Rot. Bonds2

About 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol

2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol (PubChem CID 86162774) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
PubChem CID86162774
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2cccc(C(C)(C)C)c2O)c1
InChIInChI=1S/C18H22O2/c1-12-8-9-16(19)14(10-12)11-13-6-5-7-15(17(13)20)18(2,3)4/h5-10,19-20H,11H2,1-4H3
InChIKeyMXTPDKVRUFRSKP-UHFFFAOYSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
4-methyl-2-[(2-methyl-3-pyridinyl)methyl]phenol
CID 143626685
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
CID 166786762
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol (CID 86162774) is 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol is Cc1ccc(O)c(Cc2cccc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
The InChIKey is MXTPDKVRUFRSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-12-8-9-16(19)14(10-12)11-13-6-5-7-15(17(13)20)18(2,3)4/h5-10,19-20H,11H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol is sourced from PubChem (CID 86162774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).