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

C18H22O3 — CID 101303449

IUPAC4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1cc(O)c(-c2ccc(O)cc2O)c(CC)c1CC
InChIInChI=1S/C18H22O3/c1-4-11-9-17(21)18(14(6-3)13(11)5-2)15-8-7-12(19)10-16(15)20/h7-10,19-21H,4-6H2,1-3H3
InChIKeyAAKCZEQCJTVLLN-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds4

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

4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol (PubChem CID 101303449) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol
PubChem CID101303449
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1cc(O)c(-c2ccc(O)cc2O)c(CC)c1CC
InChIInChI=1S/C18H22O3/c1-4-11-9-17(21)18(14(6-3)13(11)5-2)15-8-7-12(19)10-16(15)20/h7-10,19-21H,4-6H2,1-3H3
InChIKeyAAKCZEQCJTVLLN-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol?
The IUPAC name of 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol (CID 101303449) is 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol?
The canonical SMILES for 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol is CCc1cc(O)c(-c2ccc(O)cc2O)c(CC)c1CC.
What is the InChIKey of 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol?
The InChIKey is AAKCZEQCJTVLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-9-17(21)18(14(6-3)13(11)5-2)15-8-7-12(19)10-16(15)20/h7-10,19-21H,4-6H2,1-3H3.
What are the key properties of 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol?
4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-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 4-(2,3,4-triethyl-6-hydroxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 101303449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).