3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one

C23H18O3 — CID 122367134

IUPAC3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
SMILESCOc1ccc(-c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H18O3/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)23(24)26-22(21)17-11-13-18(25-2)14-12-17/h3-14H,1-2H3
InChIKeyNLYTUVCMUQCBFF-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.44
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one

3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one (PubChem CID 122367134) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
PubChem CID122367134
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
SMILESCOc1ccc(-c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H18O3/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)23(24)26-22(21)17-11-13-18(25-2)14-12-17/h3-14H,1-2H3
InChIKeyNLYTUVCMUQCBFF-UHFFFAOYSA-N
XLogP5.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387
3-methoxy-4-phenylisochromen-1-one
CID 138981876
3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran
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1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydroisochromen-3-one
CID 162138090
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
4-(2-benzhydrylprop-2-enyl)-3-(4-methoxyphenyl)isochromen-1-one
CID 139261782
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
3-(benzenesulfonyl)-4-(4-methoxyphenyl)chromen-2-one
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6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one (CID 122367134) is 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one is COc1ccc(-c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one?
The InChIKey is NLYTUVCMUQCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)23(24)26-22(21)17-11-13-18(25-2)14-12-17/h3-14H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one?
3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one has a molecular weight of 342.39 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one is sourced from PubChem (CID 122367134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).