5-(4-hydroxyphenyl)-3-methylpentanenitrile

C12H15NO — CID 14742686

IUPAC5-(4-hydroxyphenyl)-3-methylpentanenitrile
SMILESCC(CC#N)CCc1ccc(O)cc1
InChIInChI=1S/C12H15NO/c1-10(8-9-13)2-3-11-4-6-12(14)7-5-11/h4-7,10,14H,2-3,8H2,1H3
InChIKeyZULKBTIIMZZUMR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.87
Rot. Bonds4

About 5-(4-hydroxyphenyl)-3-methylpentanenitrile

5-(4-hydroxyphenyl)-3-methylpentanenitrile (PubChem CID 14742686) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-methylpentanenitrile.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-methylpentanenitrile
PubChem CID14742686
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-(4-hydroxyphenyl)-3-methylpentanenitrile
SMILESCC(CC#N)CCc1ccc(O)cc1
InChIInChI=1S/C12H15NO/c1-10(8-9-13)2-3-11-4-6-12(14)7-5-11/h4-7,10,14H,2-3,8H2,1H3
InChIKeyZULKBTIIMZZUMR-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylpentyl)phenol
CID 57225129
4-(3,5-dimethyloctyl)phenol
CID 174906830
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
3-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanenitrile
CID 62646914
3-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 82075409
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
4-(4-methylpentyl)phenol;phenol
CID 174866001
2-(4-hydroxyphenyl)acetonitrile
CID 26548
3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
CID 113322888
3-methyl-5-(3-methylfuran-2-yl)pentanenitrile
CID 71676545
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-3-methylpentanenitrile?
The IUPAC name of 5-(4-hydroxyphenyl)-3-methylpentanenitrile (CID 14742686) is 5-(4-hydroxyphenyl)-3-methylpentanenitrile.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-methylpentanenitrile?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-methylpentanenitrile is CC(CC#N)CCc1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-methylpentanenitrile?
The InChIKey is ZULKBTIIMZZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(8-9-13)2-3-11-4-6-12(14)7-5-11/h4-7,10,14H,2-3,8H2,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-3-methylpentanenitrile?
5-(4-hydroxyphenyl)-3-methylpentanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-methylpentanenitrile is sourced from PubChem (CID 14742686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).