4-ethyl-6-(hydroxymethyl)benzene-1,3-diol

C9H12O3 — CID 84765393

IUPAC4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
SMILESCCc1cc(CO)c(O)cc1O
InChIInChI=1S/C9H12O3/c1-2-6-3-7(5-10)9(12)4-8(6)11/h3-4,10-12H,2,5H2,1H3
InChIKeySBOXWJTYFNXMJF-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.15
Rot. Bonds2

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

4-ethyl-6-(hydroxymethyl)benzene-1,3-diol (PubChem CID 84765393) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
PubChem CID84765393
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
SMILESCCc1cc(CO)c(O)cc1O
InChIInChI=1S/C9H12O3/c1-2-6-3-7(5-10)9(12)4-8(6)11/h3-4,10-12H,2,5H2,1H3
InChIKeySBOXWJTYFNXMJF-UHFFFAOYSA-N
XLogP1.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(hydroxymethyl)benzene-1,3-diol
CID 66920860
2,4-bis(hydroxymethyl)-5-propylphenol
CID 20528682
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
CID 84774316
4,6-dipropylbenzene-1,3-diol
CID 70496109
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
1-[[2,4-dihydroxy-5-(hydroxymethyl)phenyl]methyl-[(3S)-3-[[2,5-dihydroxy-4-(hydroxymethyl)phenyl]methyl-(1-phosphonoethyl)amino]-1,4-dihydroxybutan-2-yl]amino]ethylphosphonic acid;iron(2+)
CID 58455036
1-[[2,4-dihydroxy-5-(hydroxymethyl)phenyl]methyl-[3-[[2,5-dihydroxy-4-(hydroxymethyl)phenyl]methyl-(1-phosphonoethyl)amino]-1,4-dihydroxybutan-2-yl]amino]ethylphosphonic acid;iron(2+)
CID 58461562
2,5-diethyl-4-methoxyphenol
CID 162375149
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol (CID 84765393) is 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol is CCc1cc(CO)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol?
The InChIKey is SBOXWJTYFNXMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-6-3-7(5-10)9(12)4-8(6)11/h3-4,10-12H,2,5H2,1H3.
What are the key properties of 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol?
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol has a molecular weight of 168.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(hydroxymethyl)benzene-1,3-diol is sourced from PubChem (CID 84765393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).