6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one

C19H18O4 — CID 22616338

IUPAC6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCCC3=O)c2c1OCCO2
InChIInChI=1S/C19H18O4/c1-21-17-8-7-15(18-19(17)23-10-9-22-18)13-5-6-14-12(11-13)3-2-4-16(14)20/h5-8,11H,2-4,9-10H2,1H3
InChIKeyIJEUXVQUIHYLFP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.65
Rot. Bonds2

About 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one

6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22616338) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22616338
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCCC3=O)c2c1OCCO2
InChIInChI=1S/C19H18O4/c1-21-17-8-7-15(18-19(17)23-10-9-22-18)13-5-6-14-12(11-13)3-2-4-16(14)20/h5-8,11H,2-4,9-10H2,1H3
InChIKeyIJEUXVQUIHYLFP-UHFFFAOYSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)isoindole-1,3-dione
CID 12043736
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenyl] acetate
CID 89420952
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
7-methoxy-4-(1-oxo-2,3-dihydroinden-5-yl)-1,3-dihydroindol-2-one
CID 154848998
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334
6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one
CID 169410326
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
5-[3,4-dimethoxy-2-(2-methylpropoxy)phenyl]-2,3-dihydroinden-1-one
CID 54577161
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410330

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 22616338) is 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one is COc1ccc(-c2ccc3c(c2)CCCC3=O)c2c1OCCO2.
What is the InChIKey of 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IJEUXVQUIHYLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-17-8-7-15(18-19(17)23-10-9-22-18)13-5-6-14-12(11-13)3-2-4-16(14)20/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one?
6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22616338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).