1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone

C18H18O5 — CID 91973509

IUPAC1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(OC)c3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18O5/c1-20-14-5-3-12(4-6-14)9-15(19)13-10-16(21-2)18-17(11-13)22-7-8-23-18/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPAQUIKATTXEVHL-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.90
Rot. Bonds5

About 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone

1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 91973509) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID91973509
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(OC)c3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18O5/c1-20-14-5-3-12(4-6-14)9-15(19)13-10-16(21-2)18-17(11-13)22-7-8-23-18/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPAQUIKATTXEVHL-UHFFFAOYSA-N
XLogP2.90
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067061
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 35238757
[(2R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-4-oxobutan-2-yl] acetate
CID 95167550
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 30610505
5-methoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24544796
N-[2-(4-butoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55752152
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856897
N-[2-(4-aminophenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119549582
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27540023

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone (CID 91973509) is 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(OC)c3c(c2)OCCO3)cc1.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is PAQUIKATTXEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-14-5-3-12(4-6-14)9-15(19)13-10-16(21-2)18-17(11-13)22-7-8-23-18/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone?
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 314.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 91973509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).