4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol

C18H22O2 — CID 101302857

IUPAC4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
SMILESCCc1ccc(-c2cc(CC)c(O)cc2O)c(CC)c1
InChIInChI=1S/C18H22O2/c1-4-12-7-8-15(13(5-2)9-12)16-10-14(6-3)17(19)11-18(16)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyRKXRSQFVASNJNH-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

About 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol

4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol (PubChem CID 101302857) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
PubChem CID101302857
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
SMILESCCc1ccc(-c2cc(CC)c(O)cc2O)c(CC)c1
InChIInChI=1S/C18H22O2/c1-4-12-7-8-15(13(5-2)9-12)16-10-14(6-3)17(19)11-18(16)20/h7-11,19-20H,4-6H2,1-3H3
InChIKeyRKXRSQFVASNJNH-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-diethylphenyl)-3,5-diethylphenol
CID 141260398
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
4-(2,5-diethylphenyl)-5-ethylbenzene-1,2-diol
CID 101302822
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
4-(2,5-diethylphenyl)-6-ethylbenzene-1,2,3-triol
CID 101303330
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
4,5-diethyl-2-(4-ethylphenyl)phenol
CID 101302408
5-ethyl-2-(4-hydroxyphenyl)phenol
CID 101302542
3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
CID 126606459
4-(2,4-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303228
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
CID 101303385
(2,4-diethylphenyl)methanol
CID 21414896

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol?
The IUPAC name of 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol (CID 101302857) is 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol?
The canonical SMILES for 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol is CCc1ccc(-c2cc(CC)c(O)cc2O)c(CC)c1.
What is the InChIKey of 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol?
The InChIKey is RKXRSQFVASNJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-7-8-15(13(5-2)9-12)16-10-14(6-3)17(19)11-18(16)20/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol?
4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol has a molecular weight of 270.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol is sourced from PubChem (CID 101302857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).