2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol

C17H22O4 — CID 159775903

IUPAC2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
SMILESCCCc1c(O)cccc1O.CCc1c(O)cccc1O
InChIInChI=1S/C9H12O2.C8H10O2/c1-2-4-7-8(10)5-3-6-9(7)11;1-2-6-7(9)4-3-5-8(6)10/h3,5-6,10-11H,2,4H2,1H3;3-5,9-10H,2H2,1H3
InChIKeyNGSSOPQAXNJNJB-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.71
Rot. Bonds3

About 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol

2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol (PubChem CID 159775903) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol.

Molecular Properties

Compound Name2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
PubChem CID159775903
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
SMILESCCCc1c(O)cccc1O.CCc1c(O)cccc1O
InChIInChI=1S/C9H12O2.C8H10O2/c1-2-4-7-8(10)5-3-6-9(7)11;1-2-6-7(9)4-3-5-8(6)10/h3,5-6,10-11H,2,4H2,1H3;3-5,9-10H,2H2,1H3
InChIKeyNGSSOPQAXNJNJB-UHFFFAOYSA-N
XLogP3.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-ethylbenzene-1,3-diol;2-propylbenzene-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

Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol?
The IUPAC name of 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol (CID 159775903) is 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol.
What is the SMILES notation for 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol?
The canonical SMILES for 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol is CCCc1c(O)cccc1O.CCc1c(O)cccc1O.
What is the InChIKey of 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol?
The InChIKey is NGSSOPQAXNJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C8H10O2/c1-2-4-7-8(10)5-3-6-9(7)11;1-2-6-7(9)4-3-5-8(6)10/h3,5-6,10-11H,2,4H2,1H3;3-5,9-10H,2H2,1H3.
What are the key properties of 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol?
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol has a molecular weight of 290.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol is sourced from PubChem (CID 159775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).