2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one

C16H22O3 — CID 103410639

IUPAC2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCCOCCCC1CCc2ccccc2C1=O
InChIInChI=1S/C16H22O3/c1-18-11-12-19-10-4-6-14-9-8-13-5-2-3-7-15(13)16(14)17/h2-3,5,7,14H,4,6,8-12H2,1H3
InChIKeyZTSIGXUPTBFAHI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.87
Rot. Bonds7

About 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one

2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 103410639) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID103410639
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCCOCCCC1CCc2ccccc2C1=O
InChIInChI=1S/C16H22O3/c1-18-11-12-19-10-4-6-14-9-8-13-5-2-3-7-15(13)16(14)17/h2-3,5,7,14H,4,6,8-12H2,1H3
InChIKeyZTSIGXUPTBFAHI-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
6-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)hexanoic acid
CID 18623264
2-(6-oxoundecyl)-3,4-dihydro-2H-naphthalen-1-one
CID 70527220
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
CID 91165365
(2S)-2-[(4-methoxyanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 40603057
2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 22104550
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 79429311
2-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 62161493

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one (CID 103410639) is 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one is COCCOCCCC1CCc2ccccc2C1=O.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZTSIGXUPTBFAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-11-12-19-10-4-6-14-9-8-13-5-2-3-7-15(13)16(14)17/h2-3,5,7,14H,4,6,8-12H2,1H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 103410639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).