7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one

C18H18O4 — CID 135033304

IUPAC7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(C2OC(=O)c3cc(OC)ccc3C2C)cc1
InChIInChI=1S/C18H18O4/c1-11-15-9-8-14(21-3)10-16(15)18(19)22-17(11)12-4-6-13(20-2)7-5-12/h4-11,17H,1-3H3
InChIKeyOMFXRBSHOYQOMT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.72
Rot. Bonds3

About 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one

7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one (PubChem CID 135033304) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one
PubChem CID135033304
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(C2OC(=O)c3cc(OC)ccc3C2C)cc1
InChIInChI=1S/C18H18O4/c1-11-15-9-8-14(21-3)10-16(15)18(19)22-17(11)12-4-6-13(20-2)7-5-12/h4-11,17H,1-3H3
InChIKeyOMFXRBSHOYQOMT-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-5-(4-methoxyphenyl)-4-methyl-3-methylideneoxolan-2-one
CID 101402507
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
CID 139211738
CID 139211738
6-methoxy-3-(4-methoxyphenyl)-3H-2-benzothiophen-1-one
CID 585576
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
(3R,4S)-4-bromo-8-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10248122
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14539349
5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 132915596
4-[(5-methoxy-3-oxo-1H-2-benzofuran-1-yl)methyl]benzoic acid
CID 70516068
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one (CID 135033304) is 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one is COc1ccc(C2OC(=O)c3cc(OC)ccc3C2C)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one?
The InChIKey is OMFXRBSHOYQOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-11-15-9-8-14(21-3)10-16(15)18(19)22-17(11)12-4-6-13(20-2)7-5-12/h4-11,17H,1-3H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one?
7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-4-methyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 135033304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).