3-hydroxy-4-(3-methoxyphenoxy)butanenitrile

C11H13NO3 — CID 13010437

IUPAC3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
SMILESCOc1cccc(OCC(O)CC#N)c1
InChIInChI=1S/C11H13NO3/c1-14-10-3-2-4-11(7-10)15-8-9(13)5-6-12/h2-4,7,9,13H,5,8H2,1H3
InChIKeyLCGJMJYHVLAAKF-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.35
Rot. Bonds5

About 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile

3-hydroxy-4-(3-methoxyphenoxy)butanenitrile (PubChem CID 13010437) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile.

Molecular Properties

Compound Name3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
PubChem CID13010437
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
SMILESCOc1cccc(OCC(O)CC#N)c1
InChIInChI=1S/C11H13NO3/c1-14-10-3-2-4-11(7-10)15-8-9(13)5-6-12/h2-4,7,9,13H,5,8H2,1H3
InChIKeyLCGJMJYHVLAAKF-UHFFFAOYSA-N
XLogP1.35
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxyphenoxy)-3-hydroxybutanenitrile
CID 112507925
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
2-(3-methoxyphenoxy)acetonitrile
CID 11041031
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(furan-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 117246144
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile?
The IUPAC name of 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile (CID 13010437) is 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile.
What is the SMILES notation for 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile?
The canonical SMILES for 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile is COc1cccc(OCC(O)CC#N)c1.
What is the InChIKey of 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile?
The InChIKey is LCGJMJYHVLAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-10-3-2-4-11(7-10)15-8-9(13)5-6-12/h2-4,7,9,13H,5,8H2,1H3.
What are the key properties of 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile?
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile has a molecular weight of 207.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-methoxyphenoxy)butanenitrile is sourced from PubChem (CID 13010437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).