2-(2-hydroxyethyl)-3,5,6-trimethylphenol

C11H16O2 — CID 117114395

IUPAC2-(2-hydroxyethyl)-3,5,6-trimethylphenol
SMILESCc1cc(C)c(CCO)c(O)c1C
InChIInChI=1S/C11H16O2/c1-7-6-8(2)10(4-5-12)11(13)9(7)3/h6,12-13H,4-5H2,1-3H3
InChIKeyNTOMZECZVPKADS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds2

About 2-(2-hydroxyethyl)-3,5,6-trimethylphenol

2-(2-hydroxyethyl)-3,5,6-trimethylphenol (PubChem CID 117114395) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3,5,6-trimethylphenol
PubChem CID117114395
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-hydroxyethyl)-3,5,6-trimethylphenol
SMILESCc1cc(C)c(CCO)c(O)c1C
InChIInChI=1S/C11H16O2/c1-7-6-8(2)10(4-5-12)11(13)9(7)3/h6,12-13H,4-5H2,1-3H3
InChIKeyNTOMZECZVPKADS-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-3,4,6-trimethylphenyl)propanal
CID 117117757
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol
CID 139748783
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
CID 84669167
2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
CID 117305989
2-tert-butyl-3,5,6-trimethylphenol
CID 21325620
2,4-bis(hydroxymethyl)-3,5-dimethylphenol
CID 71367739
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3,5,6-trimethylphenol?
The IUPAC name of 2-(2-hydroxyethyl)-3,5,6-trimethylphenol (CID 117114395) is 2-(2-hydroxyethyl)-3,5,6-trimethylphenol.
What is the SMILES notation for 2-(2-hydroxyethyl)-3,5,6-trimethylphenol?
The canonical SMILES for 2-(2-hydroxyethyl)-3,5,6-trimethylphenol is Cc1cc(C)c(CCO)c(O)c1C.
What is the InChIKey of 2-(2-hydroxyethyl)-3,5,6-trimethylphenol?
The InChIKey is NTOMZECZVPKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-6-8(2)10(4-5-12)11(13)9(7)3/h6,12-13H,4-5H2,1-3H3.
What are the key properties of 2-(2-hydroxyethyl)-3,5,6-trimethylphenol?
2-(2-hydroxyethyl)-3,5,6-trimethylphenol has a molecular weight of 180.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3,5,6-trimethylphenol is sourced from PubChem (CID 117114395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).