2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile

C15H19NO2 — CID 65496934

IUPAC2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCCC(O)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C15H19NO2/c1-2-13(17)12-5-3-4-6-14(12)18-11-15(7-8-15)9-10-16/h3-6,13,17H,2,7-9,11H2,1H3
InChIKeyCJXLGLWFLCZMLA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.20
Rot. Bonds6

About 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65496934) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65496934
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCCC(O)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C15H19NO2/c1-2-13(17)12-5-3-4-6-14(12)18-11-15(7-8-15)9-10-16/h3-6,13,17H,2,7-9,11H2,1H3
InChIKeyCJXLGLWFLCZMLA-UHFFFAOYSA-N
XLogP3.20
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479716
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
CID 65482283
N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503572
2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 79009106
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
CID 82001771
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile (CID 65496934) is 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile is CCC(O)c1ccccc1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is CJXLGLWFLCZMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-13(17)12-5-3-4-6-14(12)18-11-15(7-8-15)9-10-16/h3-6,13,17H,2,7-9,11H2,1H3.
What are the key properties of 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 245.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).