3,5-diethyl-4-hydroxybenzonitrile

C11H13NO — CID 21017

IUPAC3,5-diethyl-4-hydroxybenzonitrile
SMILESCCc1cc(C#N)cc(CC)c1O
InChIInChI=1S/C11H13NO/c1-3-9-5-8(7-12)6-10(4-2)11(9)13/h5-6,13H,3-4H2,1-2H3
InChIKeyLVXBYXUNTBNBSA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.39
Rot. Bonds2

About 3,5-diethyl-4-hydroxybenzonitrile

3,5-diethyl-4-hydroxybenzonitrile (PubChem CID 21017) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,5-diethyl-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3,5-diethyl-4-hydroxybenzonitrile
PubChem CID21017
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,5-diethyl-4-hydroxybenzonitrile
SMILESCCc1cc(C#N)cc(CC)c1O
InChIInChI=1S/C11H13NO/c1-3-9-5-8(7-12)6-10(4-2)11(9)13/h5-6,13H,3-4H2,1-2H3
InChIKeyLVXBYXUNTBNBSA-UHFFFAOYSA-N
XLogP2.39
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631570
2-(5-cyano-3-ethyl-2-methylphenyl)acetic acid
CID 131567743
ethyl 2-[3-(chloromethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 165345328
ethyl 4-cyano-2,6-diethylbenzoate
CID 134614516
3-chloro-5-ethyl-4-fluorobenzonitrile
CID 117279673
3-ethyl-4-(hydroxymethyl)benzonitrile
CID 24971956
methyl 2-(5-cyano-2,3-diethylphenyl)acetate
CID 134613444
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
5-cyano-3-ethyl-2-formylbenzoic acid
CID 134615326
ethyl 4-cyano-2-ethyl-6-methylbenzoate
CID 134614454
3-fluoro-4-hydroxy-5-(hydroxymethyl)benzonitrile
CID 131537406
4-(chloromethyl)-3-ethylbenzonitrile
CID 91883782

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-hydroxybenzonitrile?
The IUPAC name of 3,5-diethyl-4-hydroxybenzonitrile (CID 21017) is 3,5-diethyl-4-hydroxybenzonitrile.
What is the SMILES notation for 3,5-diethyl-4-hydroxybenzonitrile?
The canonical SMILES for 3,5-diethyl-4-hydroxybenzonitrile is CCc1cc(C#N)cc(CC)c1O.
What is the InChIKey of 3,5-diethyl-4-hydroxybenzonitrile?
The InChIKey is LVXBYXUNTBNBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-9-5-8(7-12)6-10(4-2)11(9)13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-4-hydroxybenzonitrile?
3,5-diethyl-4-hydroxybenzonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-hydroxybenzonitrile is sourced from PubChem (CID 21017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).