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

C14H16O4 — CID 107508131

IUPAC6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCC(=O)COc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C14H16O4/c1-17-8-11(15)9-18-12-5-6-13-10(7-12)3-2-4-14(13)16/h5-7H,2-4,8-9H2,1H3
InChIKeyLYOABTOUFNWQJW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.80
Rot. Bonds5

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

6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 107508131) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID107508131
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCC(=O)COc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C14H16O4/c1-17-8-11(15)9-18-12-5-6-13-10(7-12)3-2-4-14(13)16/h5-7H,2-4,8-9H2,1H3
InChIKeyLYOABTOUFNWQJW-UHFFFAOYSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62034019
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate
CID 155168644
2-methyl-4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]but-2-enoic acid
CID 77074781
6-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62033839
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62033653

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 107508131) is 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one is COCC(=O)COc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LYOABTOUFNWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-8-11(15)9-18-12-5-6-13-10(7-12)3-2-4-14(13)16/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 248.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 107508131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).