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

C15H19NO3 — CID 82001771

IUPAC2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
SMILESCOc1ccc(C(C)O)c(OCC2(CC#N)CC2)c1
InChIInChI=1S/C15H19NO3/c1-11(17)13-4-3-12(18-2)9-14(13)19-10-15(5-6-15)7-8-16/h3-4,9,11,17H,5-7,10H2,1-2H3
InChIKeyVFNZLVKKXBHWQM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.82
Rot. Bonds6

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

2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 82001771) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID82001771
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
SMILESCOc1ccc(C(C)O)c(OCC2(CC#N)CC2)c1
InChIInChI=1S/C15H19NO3/c1-11(17)13-4-3-12(18-2)9-14(13)19-10-15(5-6-15)7-8-16/h3-4,9,11,17H,5-7,10H2,1-2H3
InChIKeyVFNZLVKKXBHWQM-UHFFFAOYSA-N
XLogP2.82
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 79009106
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[[2-(hydroxymethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
CID 65497780
1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 82001257
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
2-[1-[(2-formyl-4-methoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65497766
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetonitrile
CID 65494076
2-[1-[[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 113389661
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
2-[1-[[4-methoxy-2-(propylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479511

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile (CID 82001771) is 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile is COc1ccc(C(C)O)c(OCC2(CC#N)CC2)c1.
What is the InChIKey of 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is VFNZLVKKXBHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)13-4-3-12(18-2)9-14(13)19-10-15(5-6-15)7-8-16/h3-4,9,11,17H,5-7,10H2,1-2H3.
What are the key properties of 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 261.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 82001771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).