2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol

C18H22O3 — CID 101303425

IUPAC2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
SMILESCCc1c(O)c(CC)c(-c2cccc(O)c2)c(O)c1CC
InChIInChI=1S/C18H22O3/c1-4-13-14(5-2)18(21)16(15(6-3)17(13)20)11-8-7-9-12(19)10-11/h7-10,19-21H,4-6H2,1-3H3
InChIKeyQHTBSXIQFDJWTL-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

About 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol

2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol (PubChem CID 101303425) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
PubChem CID101303425
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
SMILESCCc1c(O)c(CC)c(-c2cccc(O)c2)c(O)c1CC
InChIInChI=1S/C18H22O3/c1-4-13-14(5-2)18(21)16(15(6-3)17(13)20)11-8-7-9-12(19)10-11/h7-10,19-21H,4-6H2,1-3H3
InChIKeyQHTBSXIQFDJWTL-UHFFFAOYSA-N
XLogP4.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,6-triethylphenyl)phenol
CID 101302512
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
CID 101303320
4,6-diethyl-3-(3-hydroxyphenyl)benzene-1,2-diol
CID 101303164
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
3-(2-ethyl-11-azatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaen-3-yl)phenol
CID 18780640
3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol
CID 21405734
3-(2,3-diethylphenyl)phenol
CID 101302379
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
5-(2,3,5-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303488
5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol
CID 101303487
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
5-[[(4S,5S)-4,5-bis(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]-4-ethyl-6-(3-hydroxyphenyl)benzene-1,3-diol
CID 87662949

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol?
The IUPAC name of 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol (CID 101303425) is 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol.
What is the SMILES notation for 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol?
The canonical SMILES for 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol is CCc1c(O)c(CC)c(-c2cccc(O)c2)c(O)c1CC.
What is the InChIKey of 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol?
The InChIKey is QHTBSXIQFDJWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-13-14(5-2)18(21)16(15(6-3)17(13)20)11-8-7-9-12(19)10-11/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol?
2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol has a molecular weight of 286.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol is sourced from PubChem (CID 101303425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).