7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one

C17H16O4 — CID 175811717

IUPAC7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one
SMILES[2H]COc1ccc2c(c1OCc1ccccc1)COC(=O)C2
InChIInChI=1S/C17H16O4/c1-19-15-8-7-13-9-16(18)20-11-14(13)17(15)21-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/i1D
InChIKeyOTFMKHLOVXIKKH-MICDWDOJSA-N
MW285.32 g/mol
LogP2.87
Rot. Bonds5

About 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one

7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one (PubChem CID 175811717) has the molecular formula C17H16O4 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one.

Molecular Properties

Compound Name7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one
PubChem CID175811717
Molecular FormulaC17H16O4
Molecular Weight285.32 g/mol
Exact Mass285.11
IUPAC Name7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one
SMILES[2H]COc1ccc2c(c1OCc1ccccc1)COC(=O)C2
InChIInChI=1S/C17H16O4/c1-19-15-8-7-13-9-16(18)20-11-14(13)17(15)21-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/i1D
InChIKeyOTFMKHLOVXIKKH-MICDWDOJSA-N
XLogP2.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one
CID 90431979
8-[dihydroxy(phenyl)-λ4-sulfanyl]oxy-7-methoxy-1,4-dihydroisochromen-3-one
CID 123361967
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one
CID 10550673
4-ethyl-5-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 123774100
(9R,13R)-9-hydroxy-3,5,17,18,19-pentamethoxy-4-phenylmethoxy-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2,4,6,15,17-hexaen-10-one
CID 10907605
4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
CID 163961951
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
CID 86192191
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
2-butyl-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 22402440
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one?
The IUPAC name of 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one (CID 175811717) is 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one.
What is the SMILES notation for 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one?
The canonical SMILES for 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one is [2H]COc1ccc2c(c1OCc1ccccc1)COC(=O)C2.
What is the InChIKey of 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one?
The InChIKey is OTFMKHLOVXIKKH-MICDWDOJSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-15-8-7-13-9-16(18)20-11-14(13)17(15)21-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/i1D.
What are the key properties of 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one?
7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one has a molecular weight of 285.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one is sourced from PubChem (CID 175811717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).