1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile

C15H19NO2 — CID 114277353

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(CCOCCO)CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c16-12-15(8-10-18-11-9-17)7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,17H,3,5,7-11H2
InChIKeyVICVMTPWSSINQB-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.18
Rot. Bonds5

About 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile

1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 114277353) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID114277353
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(CCOCCO)CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c16-12-15(8-10-18-11-9-17)7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,17H,3,5,7-11H2
InChIKeyVICVMTPWSSINQB-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
CID 65407473
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
CID 103415058
1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
CID 65409010
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114934729
1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
CID 114280383
1-[(3-bromophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 114277353) is 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile is N#CC1(CCOCCO)CCCc2ccccc21.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is VICVMTPWSSINQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-12-15(8-10-18-11-9-17)7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,17H,3,5,7-11H2.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 245.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 114277353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).