2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile

C14H17NO2 — CID 79009115

IUPAC2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESC[C@@H](O)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C14H17NO2/c1-11(16)12-4-2-3-5-13(12)17-10-14(6-7-14)8-9-15/h2-5,11,16H,6-8,10H2,1H3/t11-/m1/s1
InChIKeyQWUXHJJAYDJCKN-LLVKDONJSA-N
MW231.30 g/mol
LogP2.81
Rot. Bonds5

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

2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 79009115) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID79009115
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESC[C@@H](O)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C14H17NO2/c1-11(16)12-4-2-3-5-13(12)17-10-14(6-7-14)8-9-15/h2-5,11,16H,6-8,10H2,1H3/t11-/m1/s1
InChIKeyQWUXHJJAYDJCKN-LLVKDONJSA-N
XLogP2.81
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 79009106
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
CID 82001771
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479716
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
CID 65482283
2-[1-[[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 113389661
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
2-[1-[(2-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65497135
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile (CID 79009115) is 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile is C[C@@H](O)c1ccccc1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is QWUXHJJAYDJCKN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)12-4-2-3-5-13(12)17-10-14(6-7-14)8-9-15/h2-5,11,16H,6-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 79009115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).