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

C15H18O3 — CID 62033294

IUPAC6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)CCCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C15H18O3/c1-11(16)4-3-9-18-13-7-8-14-12(10-13)5-2-6-15(14)17/h7-8,10H,2-6,9H2,1H3
InChIKeyPJSHQSADJPEBPD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.95
Rot. Bonds5

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

6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 62033294) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID62033294
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)CCCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C15H18O3/c1-11(16)4-3-9-18-13-7-8-14-12(10-13)5-2-6-15(14)17/h7-8,10H,2-6,9H2,1H3
InChIKeyPJSHQSADJPEBPD-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.95
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

5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
2-methyl-4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]but-2-enoic acid
CID 77074781
6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
CID 107007273
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 62033294) is 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one is CC(=O)CCCOc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PJSHQSADJPEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11(16)4-3-9-18-13-7-8-14-12(10-13)5-2-6-15(14)17/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 62033294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).