4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol

C11H16O3 — CID 23345326

IUPAC4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
SMILESCC(C)(C)c1cc(CO)c(O)cc1O
InChIInChI=1S/C11H16O3/c1-11(2,3)8-4-7(6-12)9(13)5-10(8)14/h4-5,12-14H,6H2,1-3H3
InChIKeyDHIMQZRJBPVECR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.89
Rot. Bonds1

About 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol

4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol (PubChem CID 23345326) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
PubChem CID23345326
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
SMILESCC(C)(C)c1cc(CO)c(O)cc1O
InChIInChI=1S/C11H16O3/c1-11(2,3)8-4-7(6-12)9(13)5-10(8)14/h4-5,12-14H,6H2,1-3H3
InChIKeyDHIMQZRJBPVECR-UHFFFAOYSA-N
XLogP1.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(hydroxymethyl)benzene-1,3-diol
CID 66920860
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
CID 84765393
4-[3,3-bis(2,5-ditert-butyl-4-hydroxyphenyl)butyl]-2,5-ditert-butylphenol
CID 139643650
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol
CID 138634849
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012
2,4-ditert-butyl-5-methylphenol
CID 10346
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
CID 71342649
2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
CID 141276702

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol?
The IUPAC name of 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol (CID 23345326) is 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol.
What is the SMILES notation for 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol?
The canonical SMILES for 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol is CC(C)(C)c1cc(CO)c(O)cc1O.
What is the InChIKey of 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol?
The InChIKey is DHIMQZRJBPVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,3)8-4-7(6-12)9(13)5-10(8)14/h4-5,12-14H,6H2,1-3H3.
What are the key properties of 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol?
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol has a molecular weight of 196.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol is sourced from PubChem (CID 23345326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).