5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol

C16H18O3 — CID 101303299

IUPAC5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1cc(O)cc(-c2cc(O)cc(O)c2)c1CC
InChIInChI=1S/C16H18O3/c1-3-10-5-14(19)9-16(15(10)4-2)11-6-12(17)8-13(18)7-11/h5-9,17-19H,3-4H2,1-2H3
InChIKeyWZSDCKVZOHZERS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol

5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol (PubChem CID 101303299) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol
PubChem CID101303299
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol
SMILESCCc1cc(O)cc(-c2cc(O)cc(O)c2)c1CC
InChIInChI=1S/C16H18O3/c1-3-10-5-14(19)9-16(15(10)4-2)11-6-12(17)8-13(18)7-11/h5-9,17-19H,3-4H2,1-2H3
InChIKeyWZSDCKVZOHZERS-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-diethyl-5-hydroxyphenyl)benzene-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

3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689
5-(2,3,5-triethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303488
5-(3,4,6-triethyl-2-hydroxyphenyl)benzene-1,3-diol
CID 101303487
5-(2-ethylphenyl)benzene-1,3-diol
CID 101302537
3-(2,3-diethylphenyl)phenol
CID 101302379
N-(2,3-diethyl-5-hydroxyphenyl)acetamide
CID 177164029
2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol
CID 101302621
2,3,6-triethyl-5-phenylphenol
CID 101302393
3-(2,5-diethylphenyl)-5-ethylphenol
CID 101302482
4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol
CID 130033656
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol?
The IUPAC name of 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol (CID 101303299) is 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol is CCc1cc(O)cc(-c2cc(O)cc(O)c2)c1CC.
What is the InChIKey of 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol?
The InChIKey is WZSDCKVZOHZERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-10-5-14(19)9-16(15(10)4-2)11-6-12(17)8-13(18)7-11/h5-9,17-19H,3-4H2,1-2H3.
What are the key properties of 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol?
5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 101303299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).