4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol

C18H22O2 — CID 101302801

IUPAC4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol
SMILESCCc1cc(CC)cc(-c2ccc(O)c(O)c2CC)c1
InChIInChI=1S/C18H22O2/c1-4-12-9-13(5-2)11-14(10-12)16-7-8-17(19)18(20)15(16)6-3/h7-11,19-20H,4-6H2,1-3H3
InChIKeyZXRTXVKPFTXVQY-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds4

About 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol

4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol (PubChem CID 101302801) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol.

Molecular Properties

Compound Name4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol
PubChem CID101302801
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol
SMILESCCc1cc(CC)cc(-c2ccc(O)c(O)c2CC)c1
InChIInChI=1S/C18H22O2/c1-4-12-9-13(5-2)11-14(10-12)16-7-8-17(19)18(20)15(16)6-3/h7-11,19-20H,4-6H2,1-3H3
InChIKeyZXRTXVKPFTXVQY-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

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-diethylphenyl)-3-ethylbenzene-1,2,4-triol
CID 101303345
5-(3,5-diethylphenyl)benzene-1,2,4-triol
CID 101303147
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
6-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303363
2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol
CID 101303057
5-ethyl-2-(4-hydroxyphenyl)phenol
CID 101302542
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303074
2,6-diethyl-3-phenylphenol
CID 101302345
3-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303357

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol?
The IUPAC name of 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol (CID 101302801) is 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol.
What is the SMILES notation for 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol?
The canonical SMILES for 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol is CCc1cc(CC)cc(-c2ccc(O)c(O)c2CC)c1.
What is the InChIKey of 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol?
The InChIKey is ZXRTXVKPFTXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-12-9-13(5-2)11-14(10-12)16-7-8-17(19)18(20)15(16)6-3/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol?
4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-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-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol is sourced from PubChem (CID 101302801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).