5-ethyl-2-methyl-3-propylbenzene-1,4-diol

C12H18O2 — CID 139946402

IUPAC5-ethyl-2-methyl-3-propylbenzene-1,4-diol
SMILESCCCc1c(C)c(O)cc(CC)c1O
InChIInChI=1S/C12H18O2/c1-4-6-10-8(3)11(13)7-9(5-2)12(10)14/h7,13-14H,4-6H2,1-3H3
InChIKeyWSIRUBIDRAGXSH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.92
Rot. Bonds3

About 5-ethyl-2-methyl-3-propylbenzene-1,4-diol

5-ethyl-2-methyl-3-propylbenzene-1,4-diol (PubChem CID 139946402) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-propylbenzene-1,4-diol.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-propylbenzene-1,4-diol
PubChem CID139946402
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5-ethyl-2-methyl-3-propylbenzene-1,4-diol
SMILESCCCc1c(C)c(O)cc(CC)c1O
InChIInChI=1S/C12H18O2/c1-4-6-10-8(3)11(13)7-9(5-2)12(10)14/h7,13-14H,4-6H2,1-3H3
InChIKeyWSIRUBIDRAGXSH-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-methyl-3-propylbenzene-1,4-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

5-ethyl-2,3-dimethylbenzene-1,4-diol
CID 86605484
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
2-ethyl-4-methyl-6-propylphenol
CID 66879780
5-decyl-2-methyl-3-(3-methylbut-3-enyl)benzene-1,4-diol
CID 141154248
3-butyl-6-ethyl-4-propylbenzene-1,2-diol
CID 87876350
2-butyl-4,5-diethyl-3-methylphenol
CID 139832080
4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol
CID 139743493
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
5-butyl-4-pentyl-3-propylbenzene-1,2-diol
CID 87874763
2,3-dibutyl-4,5-diethylphenol
CID 139832191
3,5-diethyl-2,6-dimethylphenol
CID 23451688

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-propylbenzene-1,4-diol?
The IUPAC name of 5-ethyl-2-methyl-3-propylbenzene-1,4-diol (CID 139946402) is 5-ethyl-2-methyl-3-propylbenzene-1,4-diol.
What is the SMILES notation for 5-ethyl-2-methyl-3-propylbenzene-1,4-diol?
The canonical SMILES for 5-ethyl-2-methyl-3-propylbenzene-1,4-diol is CCCc1c(C)c(O)cc(CC)c1O.
What is the InChIKey of 5-ethyl-2-methyl-3-propylbenzene-1,4-diol?
The InChIKey is WSIRUBIDRAGXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-6-10-8(3)11(13)7-9(5-2)12(10)14/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-3-propylbenzene-1,4-diol?
5-ethyl-2-methyl-3-propylbenzene-1,4-diol has a molecular weight of 194.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-propylbenzene-1,4-diol is sourced from PubChem (CID 139946402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).