3-(5-methyl-2-phenoxyphenyl)isochromen-1-one

C22H16O3 — CID 132505094

IUPAC3-(5-methyl-2-phenoxyphenyl)isochromen-1-one
SMILESCc1ccc(Oc2ccccc2)c(-c2cc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H16O3/c1-15-11-12-20(24-17-8-3-2-4-9-17)19(13-15)21-14-16-7-5-6-10-18(16)22(23)25-21/h2-14H,1H3
InChIKeyVZRZSMAOZYYTQG-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.56
Rot. Bonds3

About 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one

3-(5-methyl-2-phenoxyphenyl)isochromen-1-one (PubChem CID 132505094) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one.

Molecular Properties

Compound Name3-(5-methyl-2-phenoxyphenyl)isochromen-1-one
PubChem CID132505094
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name3-(5-methyl-2-phenoxyphenyl)isochromen-1-one
SMILESCc1ccc(Oc2ccccc2)c(-c2cc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H16O3/c1-15-11-12-20(24-17-8-3-2-4-9-17)19(13-15)21-14-16-7-5-6-10-18(16)22(23)25-21/h2-14H,1H3
InChIKeyVZRZSMAOZYYTQG-UHFFFAOYSA-N
XLogP5.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
3-naphthalen-1-ylisochromen-1-one
CID 46868593
2-methyl-11-phenoxytetracene-5,12-dione
CID 101421338
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
3-(4-oxochromen-3-yl)isochromen-1-one
CID 166523801
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
3-(1-hydroxyethyl)isochromen-1-one
CID 11171487
3-phenylbenzo[g]isochromen-1-one
CID 10849789
4-methyl-8-phenoxychromen-2-one
CID 86228952
6-methyl-4-phenoxy-1H-quinolin-2-one
CID 11989514

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one?
The IUPAC name of 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one (CID 132505094) is 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one.
What is the SMILES notation for 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one?
The canonical SMILES for 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one is Cc1ccc(Oc2ccccc2)c(-c2cc3ccccc3c(=O)o2)c1.
What is the InChIKey of 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one?
The InChIKey is VZRZSMAOZYYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-15-11-12-20(24-17-8-3-2-4-9-17)19(13-15)21-14-16-7-5-6-10-18(16)22(23)25-21/h2-14H,1H3.
What are the key properties of 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one?
3-(5-methyl-2-phenoxyphenyl)isochromen-1-one has a molecular weight of 328.37 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-phenoxyphenyl)isochromen-1-one is sourced from PubChem (CID 132505094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).