2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile

C15H19NO2 — CID 79009106

IUPAC2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
SMILESCc1ccc([C@H](C)O)c(OCC2(CC#N)CC2)c1
InChIInChI=1S/C15H19NO2/c1-11-3-4-13(12(2)17)14(9-11)18-10-15(5-6-15)7-8-16/h3-4,9,12,17H,5-7,10H2,1-2H3/t12-/m0/s1
InChIKeyANSFRIXJGSLOFV-LBPRGKRZSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds5

About 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 79009106) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID79009106
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
SMILESCc1ccc([C@H](C)O)c(OCC2(CC#N)CC2)c1
InChIInChI=1S/C15H19NO2/c1-11-3-4-13(12(2)17)14(9-11)18-10-15(5-6-15)7-8-16/h3-4,9,12,17H,5-7,10H2,1-2H3/t12-/m0/s1
InChIKeyANSFRIXJGSLOFV-LBPRGKRZSA-N
XLogP3.12
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
CID 82001771
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492627
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
5-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]pentanenitrile
CID 55246869
5-[2-(1-hydroxyethyl)-5-methylphenoxy]pentanenitrile
CID 63650293
2-[1-[[2-(chloromethyl)-4-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 65496732
2-[1-[[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 113389661
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495310
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile (CID 79009106) is 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile is Cc1ccc([C@H](C)O)c(OCC2(CC#N)CC2)c1.
What is the InChIKey of 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is ANSFRIXJGSLOFV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-3-4-13(12(2)17)14(9-11)18-10-15(5-6-15)7-8-16/h3-4,9,12,17H,5-7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 245.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 79009106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).