2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol

C14H14O3 — CID 101303057

IUPAC2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol
SMILESCCc1cc(O)cc(-c2cc(O)ccc2O)c1
InChIInChI=1S/C14H14O3/c1-2-9-5-10(7-12(16)6-9)13-8-11(15)3-4-14(13)17/h3-8,15-17H,2H2,1H3
InChIKeyPJQRADUEOCMZGQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.03
Rot. Bonds2

About 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol

2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol (PubChem CID 101303057) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol
PubChem CID101303057
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol
SMILESCCc1cc(O)cc(-c2cc(O)ccc2O)c1
InChIInChI=1S/C14H14O3/c1-2-9-5-10(7-12(16)6-9)13-8-11(15)3-4-14(13)17/h3-8,15-17H,2H2,1H3
InChIKeyPJQRADUEOCMZGQ-UHFFFAOYSA-N
XLogP3.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
CID 101299746
5-(3,5-diethylphenyl)benzene-1,2,4-triol
CID 101303147
2-(4-hydroxyphenyl)benzene-1,4-diol
CID 15793198
3-(2,5-diethylphenyl)-5-ethylphenol
CID 101302482
2-[4-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
CID 71015748
5-ethyl-2-(4-hydroxyphenyl)phenol
CID 101302542
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
4-(3,5-diethylphenyl)-3-ethylbenzene-1,2-diol
CID 101302801
3-ethylphenol;4-ethylphenol
CID 70541430
4-amino-3-(4-ethylphenyl)phenol
CID 172675036
2-(2,3,4-triethylphenyl)benzene-1,4-diol
CID 101302922

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol?
The IUPAC name of 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol (CID 101303057) is 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol is CCc1cc(O)cc(-c2cc(O)ccc2O)c1.
What is the InChIKey of 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol?
The InChIKey is PJQRADUEOCMZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-9-5-10(7-12(16)6-9)13-8-11(15)3-4-14(13)17/h3-8,15-17H,2H2,1H3.
What are the key properties of 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol?
2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol has a molecular weight of 230.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-hydroxyphenyl)benzene-1,4-diol is sourced from PubChem (CID 101303057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).