2-hydroxy-4-prop-1-en-2-ylbenzonitrile

C10H9NO — CID 177195315

IUPAC2-hydroxy-4-prop-1-en-2-ylbenzonitrile
SMILESC=C(C)c1ccc(C#N)c(O)c1
InChIInChI=1S/C10H9NO/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-5,12H,1H2,2H3
InChIKeyOQYWENPAGFYIAR-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.30
Rot. Bonds1

About 2-hydroxy-4-prop-1-en-2-ylbenzonitrile

2-hydroxy-4-prop-1-en-2-ylbenzonitrile (PubChem CID 177195315) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-hydroxy-4-prop-1-en-2-ylbenzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-prop-1-en-2-ylbenzonitrile
PubChem CID177195315
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-hydroxy-4-prop-1-en-2-ylbenzonitrile
SMILESC=C(C)c1ccc(C#N)c(O)c1
InChIInChI=1S/C10H9NO/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-5,12H,1H2,2H3
InChIKeyOQYWENPAGFYIAR-UHFFFAOYSA-N
XLogP2.30
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile
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2,4-dihydroxybenzonitrile
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2-ethenyl-5-prop-1-en-2-ylphenol
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2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile
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azane;4-bromo-2-hydroxybenzonitrile
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2-propan-2-ylsulfonyl-5-prop-1-en-2-ylbenzonitrile
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2-hydroxy-4-(2-phenylethenyl)benzonitrile
CID 90919565
2-hydroxy-4-phenylbenzonitrile
CID 23148964
(4-cyano-3-hydroxyphenyl)-trifluoroboranuide
CID 165488033
4-(4-cyanophenyl)-2-hydroxybenzonitrile
CID 53219846
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol
CID 90057088
2-(iodomethyl)-4-prop-1-en-2-ylphenol
CID 54302731

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-prop-1-en-2-ylbenzonitrile?
The IUPAC name of 2-hydroxy-4-prop-1-en-2-ylbenzonitrile (CID 177195315) is 2-hydroxy-4-prop-1-en-2-ylbenzonitrile.
What is the SMILES notation for 2-hydroxy-4-prop-1-en-2-ylbenzonitrile?
The canonical SMILES for 2-hydroxy-4-prop-1-en-2-ylbenzonitrile is C=C(C)c1ccc(C#N)c(O)c1.
What is the InChIKey of 2-hydroxy-4-prop-1-en-2-ylbenzonitrile?
The InChIKey is OQYWENPAGFYIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-5,12H,1H2,2H3.
What are the key properties of 2-hydroxy-4-prop-1-en-2-ylbenzonitrile?
2-hydroxy-4-prop-1-en-2-ylbenzonitrile has a molecular weight of 159.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-prop-1-en-2-ylbenzonitrile is sourced from PubChem (CID 177195315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).