5-(3,5-diethylphenyl)benzene-1,2,4-triol

C16H18O3 — CID 101303147

IUPAC5-(3,5-diethylphenyl)benzene-1,2,4-triol
SMILESCCc1cc(CC)cc(-c2cc(O)c(O)cc2O)c1
InChIInChI=1S/C16H18O3/c1-3-10-5-11(4-2)7-12(6-10)13-8-15(18)16(19)9-14(13)17/h5-9,17-19H,3-4H2,1-2H3
InChIKeyKMEMXRYKUUSUDN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About 5-(3,5-diethylphenyl)benzene-1,2,4-triol

5-(3,5-diethylphenyl)benzene-1,2,4-triol (PubChem CID 101303147) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(3,5-diethylphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name5-(3,5-diethylphenyl)benzene-1,2,4-triol
PubChem CID101303147
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name5-(3,5-diethylphenyl)benzene-1,2,4-triol
SMILESCCc1cc(CC)cc(-c2cc(O)c(O)cc2O)c1
InChIInChI=1S/C16H18O3/c1-3-10-5-11(4-2)7-12(6-10)13-8-15(18)16(19)9-14(13)17/h5-9,17-19H,3-4H2,1-2H3
InChIKeyKMEMXRYKUUSUDN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol
CID 101303345
4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol
CID 101302801
2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol
CID 101303057
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
6-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303363
4,5-diethyl-2-(4-ethylphenyl)phenol
CID 101302408
5-ethyl-2-(4-hydroxyphenyl)phenol
CID 101302542
3-(2,5-diethylphenyl)-5-ethylphenol
CID 101302482
4-(2,5-diethylphenyl)-5-ethylbenzene-1,2-diol
CID 101302822
3-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303357
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
lithium;hydride;1,3,5-triethylbenzene
CID 174873379

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylphenyl)benzene-1,2,4-triol?
The IUPAC name of 5-(3,5-diethylphenyl)benzene-1,2,4-triol (CID 101303147) is 5-(3,5-diethylphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 5-(3,5-diethylphenyl)benzene-1,2,4-triol?
The canonical SMILES for 5-(3,5-diethylphenyl)benzene-1,2,4-triol is CCc1cc(CC)cc(-c2cc(O)c(O)cc2O)c1.
What is the InChIKey of 5-(3,5-diethylphenyl)benzene-1,2,4-triol?
The InChIKey is KMEMXRYKUUSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-10-5-11(4-2)7-12(6-10)13-8-15(18)16(19)9-14(13)17/h5-9,17-19H,3-4H2,1-2H3.
What are the key properties of 5-(3,5-diethylphenyl)benzene-1,2,4-triol?
5-(3,5-diethylphenyl)benzene-1,2,4-triol 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-(3,5-diethylphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 101303147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).