7,8-dimethoxy-1H-isochromen-4-one

C11H12O4 — CID 174773303

IUPAC7,8-dimethoxy-1H-isochromen-4-one
SMILESCOc1ccc2c(c1OC)COCC2=O
InChIInChI=1S/C11H12O4/c1-13-10-4-3-7-8(11(10)14-2)5-15-6-9(7)12/h3-4H,5-6H2,1-2H3
InChIKeyOBIABQDZXQGLTB-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.42
Rot. Bonds2

About 7,8-dimethoxy-1H-isochromen-4-one

7,8-dimethoxy-1H-isochromen-4-one (PubChem CID 174773303) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 7,8-dimethoxy-1H-isochromen-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-1H-isochromen-4-one
PubChem CID174773303
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name7,8-dimethoxy-1H-isochromen-4-one
SMILESCOc1ccc2c(c1OC)COCC2=O
InChIInChI=1S/C11H12O4/c1-13-10-4-3-7-8(11(10)14-2)5-15-6-9(7)12/h3-4H,5-6H2,1-2H3
InChIKeyOBIABQDZXQGLTB-UHFFFAOYSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(3Z)-3-[(2,3,4-trimethoxyphenyl)methylidene]oxan-4-one
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6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
CID 22325058
2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
CID 10555113
6,9-dimethoxy-1,2-dihydro-3-benzoxepin-5-one
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6,7-dimethoxy-1-methyl-1,3,4,5-tetrahydrobenzo[e]indol-2-one
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3-(2,3,4-trimethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-en-6-one
CID 14357816
6,7-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 82129493
1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepine-8-thiol
CID 24960169
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
methyl 6,7-dimethoxy-3-oxo-1H-isoindole-2-carboxylate
CID 76847782
methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 19352269

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1H-isochromen-4-one?
The IUPAC name of 7,8-dimethoxy-1H-isochromen-4-one (CID 174773303) is 7,8-dimethoxy-1H-isochromen-4-one.
What is the SMILES notation for 7,8-dimethoxy-1H-isochromen-4-one?
The canonical SMILES for 7,8-dimethoxy-1H-isochromen-4-one is COc1ccc2c(c1OC)COCC2=O.
What is the InChIKey of 7,8-dimethoxy-1H-isochromen-4-one?
The InChIKey is OBIABQDZXQGLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-13-10-4-3-7-8(11(10)14-2)5-15-6-9(7)12/h3-4H,5-6H2,1-2H3.
What are the key properties of 7,8-dimethoxy-1H-isochromen-4-one?
7,8-dimethoxy-1H-isochromen-4-one has a molecular weight of 208.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1H-isochromen-4-one is sourced from PubChem (CID 174773303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).