4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one

C24H22O5 — CID 10318227

IUPAC4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1cc(C2OC(=O)c3ccccc3C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H22O5/c1-26-19-13-16(14-20(27-2)23(19)28-3)22-21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)24(25)29-22/h4-14,21-22H,1-3H3
InChIKeyJWLWYLOWYDBKII-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.76
Rot. Bonds5

About 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one

4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one (PubChem CID 10318227) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID10318227
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1cc(C2OC(=O)c3ccccc3C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H22O5/c1-26-19-13-16(14-20(27-2)23(19)28-3)22-21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)24(25)29-22/h4-14,21-22H,1-3H3
InChIKeyJWLWYLOWYDBKII-UHFFFAOYSA-N
XLogP4.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
(5S,6R,7R,8S,16S,17R,18R,19S,24S,25R,26R,27S)-6,17,25-triphenyl-7,18,26-tris(3,4,5-trimethoxyphenyl)heptacyclo[10.10.6.13,21.110,14.05,8.016,19.024,27]triaconta-1(22),2,10,12,14(30),21(29)-hexaene-4,9,15,20,23,28-hexone
CID 16658624
3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
CID 139864325
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18427662
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 42629980
(3S,4R)-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid
CID 10833023
4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,3-benzoxazin-2-one
CID 123578924
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
(3S,3aS,6R,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
CID 162983447
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one (CID 10318227) is 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one is COc1cc(C2OC(=O)c3ccccc3C2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is JWLWYLOWYDBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-26-19-13-16(14-20(27-2)23(19)28-3)22-21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)24(25)29-22/h4-14,21-22H,1-3H3.
What are the key properties of 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one?
4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 390.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 10318227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).