6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one

C14H18O4 — CID 54129748

IUPAC6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCCOCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C14H18O4/c1-16-7-8-17-10-18-12-5-6-13-11(9-12)3-2-4-14(13)15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyNTNBJGUSMVUFJX-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.20
Rot. Bonds6

About 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 54129748) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID54129748
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCCOCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C14H18O4/c1-16-7-8-17-10-18-12-5-6-13-11(9-12)3-2-4-14(13)15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyNTNBJGUSMVUFJX-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334
2-methyl-4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]but-2-enoic acid
CID 77074781
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 109415774

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 54129748) is 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one is COCCOCOc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NTNBJGUSMVUFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-7-8-17-10-18-12-5-6-13-11(9-12)3-2-4-14(13)15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 250.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 54129748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).