2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol

C18H22O3 — CID 101303320

IUPAC2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
SMILESCCc1cccc(-c2c(O)c(CC)c(O)c(CC)c2O)c1
InChIInChI=1S/C18H22O3/c1-4-11-8-7-9-12(10-11)15-17(20)13(5-2)16(19)14(6-3)18(15)21/h7-10,19-21H,4-6H2,1-3H3
InChIKeySIEZJYANRZYXLD-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

About 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol

2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol (PubChem CID 101303320) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
PubChem CID101303320
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
SMILESCCc1cccc(-c2c(O)c(CC)c(O)c(CC)c2O)c1
InChIInChI=1S/C18H22O3/c1-4-11-8-7-9-12(10-11)15-17(20)13(5-2)16(19)14(6-3)18(15)21/h7-10,19-21H,4-6H2,1-3H3
InChIKeySIEZJYANRZYXLD-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

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Related Compounds

2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
CID 101303425
4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
CID 101302577
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
CID 101302583
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-phenylbenzene;propane
CID 145466525
CID 143725407
CID 143725407
1-bromo-3-chloro-2-(3-ethylphenyl)benzene
CID 52988182
2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
CID 84689498
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
4-(3-ethylphenyl)-3-fluorophenol
CID 83130273
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol?
The IUPAC name of 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol (CID 101303320) is 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol.
What is the SMILES notation for 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol?
The canonical SMILES for 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol is CCc1cccc(-c2c(O)c(CC)c(O)c(CC)c2O)c1.
What is the InChIKey of 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol?
The InChIKey is SIEZJYANRZYXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-8-7-9-12(10-11)15-17(20)13(5-2)16(19)14(6-3)18(15)21/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol?
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol 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 2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol is sourced from PubChem (CID 101303320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).