6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one

C17H16O4 — CID 86216518

IUPAC6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(C2Cc3cc(OC)ccc3C(=O)O2)cc1
InChIInChI=1S/C17H16O4/c1-19-13-5-3-11(4-6-13)16-10-12-9-14(20-2)7-8-15(12)17(18)21-16/h3-9,16H,10H2,1-2H3
InChIKeyYAHRZCMGAZVEDS-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.16
Rot. Bonds3

About 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one

6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one (PubChem CID 86216518) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID86216518
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(C2Cc3cc(OC)ccc3C(=O)O2)cc1
InChIInChI=1S/C17H16O4/c1-19-13-5-3-11(4-6-13)16-10-12-9-14(20-2)7-8-15(12)17(18)21-16/h3-9,16H,10H2,1-2H3
InChIKeyYAHRZCMGAZVEDS-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

3-[4-[hydroxy(oxido)amino]phenyl]-6-methoxy-3,4-dihydroisochromen-1-one
CID 163182644
3-(4-methoxyphenyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 135032687
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660653
(3S)-3-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660641
(3R)-N-[2-(4-methoxyphenoxy)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 40717999
N-[(2-hydroxy-5-methoxyphenyl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 102557258
(3S)-6-methoxy-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162809905
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate
CID 43027166
(3R)-N-(2-methoxyphenyl)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42100272
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one (CID 86216518) is 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one is COc1ccc(C2Cc3cc(OC)ccc3C(=O)O2)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is YAHRZCMGAZVEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-13-5-3-11(4-6-13)16-10-12-9-14(20-2)7-8-15(12)17(18)21-16/h3-9,16H,10H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
6-methoxy-3-(4-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 6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 86216518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).