5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one

C14H18O3 — CID 65455007

IUPAC5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCC(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C14H18O3/c1-10(9-16-2)17-14-8-4-5-11-12(14)6-3-7-13(11)15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyXHKMZLNVVOYMIO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.62
Rot. Bonds4

About 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one

5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65455007) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65455007
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCC(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C14H18O3/c1-10(9-16-2)17-14-8-4-5-11-12(14)6-3-7-13(11)15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyXHKMZLNVVOYMIO-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65455007) is 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one is COCC(C)Oc1cccc2c1CCCC2=O.
What is the InChIKey of 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XHKMZLNVVOYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(9-16-2)17-14-8-4-5-11-12(14)6-3-7-13(11)15/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one?
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65455007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).