2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile

C10H10FNO2 — CID 117284972

IUPAC2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
SMILESCOc1c(F)cc(CC#N)c(C)c1O
InChIInChI=1S/C10H10FNO2/c1-6-7(3-4-12)5-8(11)10(14-2)9(6)13/h5,13H,3H2,1-2H3
InChIKeyLPVNZUIPODYHLH-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.91
Rot. Bonds2

About 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile

2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile (PubChem CID 117284972) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
PubChem CID117284972
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
SMILESCOc1c(F)cc(CC#N)c(C)c1O
InChIInChI=1S/C10H10FNO2/c1-6-7(3-4-12)5-8(11)10(14-2)9(6)13/h5,13H,3H2,1-2H3
InChIKeyLPVNZUIPODYHLH-UHFFFAOYSA-N
XLogP1.91
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-3,4-dimethoxy-2-methylphenyl)acetonitrile
CID 117298346
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
CID 117282299
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile
CID 84767810
2-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84805658
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001
2-(3,5-difluoro-2-methoxy-4-methylsulfonylphenyl)acetonitrile
CID 117406669
2-(4-fluoro-5-hydroxy-2-methoxyphenyl)acetonitrile
CID 117278527
2-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)acetonitrile
CID 117288174
2-(4-fluoro-7-methyl-1-benzothiophen-6-yl)acetonitrile
CID 130878445

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile?
The IUPAC name of 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile (CID 117284972) is 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile is COc1c(F)cc(CC#N)c(C)c1O.
What is the InChIKey of 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile?
The InChIKey is LPVNZUIPODYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6-7(3-4-12)5-8(11)10(14-2)9(6)13/h5,13H,3H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile?
2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile has a molecular weight of 195.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile is sourced from PubChem (CID 117284972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).