8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one

C17H16O4 — CID 175310251

IUPAC8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccccc1C1Cc2cccc(OC)c2C(=O)O1
InChIInChI=1S/C17H16O4/c1-19-13-8-4-3-7-12(13)15-10-11-6-5-9-14(20-2)16(11)17(18)21-15/h3-9,15H,10H2,1-2H3
InChIKeyFSSSYARQSZSROP-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.16
Rot. Bonds3

About 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one

8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one (PubChem CID 175310251) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID175310251
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccccc1C1Cc2cccc(OC)c2C(=O)O1
InChIInChI=1S/C17H16O4/c1-19-13-8-4-3-7-12(13)15-10-11-6-5-9-14(20-2)16(11)17(18)21-15/h3-9,15H,10H2,1-2H3
InChIKeyFSSSYARQSZSROP-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 175916705
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
CID 155935569
3-[(3R)-8-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoic acid
CID 156581341
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide
CID 11613087
3-cyclopropyl-5-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82082707
(3R)-3-[(4S)-4-hydroxypentyl]-8-methoxy-3,4-dihydroisochromen-1-one
CID 71665535
8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one
CID 11047051
N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide
CID 134845453

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one (CID 175310251) is 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one is COc1ccccc1C1Cc2cccc(OC)c2C(=O)O1.
What is the InChIKey of 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is FSSSYARQSZSROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-13-8-4-3-7-12(13)15-10-11-6-5-9-14(20-2)16(11)17(18)21-15/h3-9,15H,10H2,1-2H3.
What are the key properties of 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one?
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 284.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 175310251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).