1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one

C22H17NO2 — CID 71748732

IUPAC1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one
SMILESCc1cccc2c1-c1cc3c(cc1CO2)C(=O)N(c1ccccc1)C3
InChIInChI=1S/C22H17NO2/c1-14-6-5-9-20-21(14)18-10-15-12-23(17-7-3-2-4-8-17)22(24)19(15)11-16(18)13-25-20/h2-11H,12-13H2,1H3
InChIKeyLAIZKWFNMHCXFM-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.71
Rot. Bonds1

About 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one

1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one (PubChem CID 71748732) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one.

Molecular Properties

Compound Name1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one
PubChem CID71748732
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one
SMILESCc1cccc2c1-c1cc3c(cc1CO2)C(=O)N(c1ccccc1)C3
InChIInChI=1S/C22H17NO2/c1-14-6-5-9-20-21(14)18-10-15-12-23(17-7-3-2-4-8-17)22(24)19(15)11-16(18)13-25-20/h2-11H,12-13H2,1H3
InChIKeyLAIZKWFNMHCXFM-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-phenyl-3H-isoindol-1-one
CID 156790254
(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one
CID 71748733
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
6-amino-2-(2,6-dimethylphenyl)-3H-isoindol-1-one
CID 82165706
3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one
CID 132933509
4-[4-(dimethylamino)phenyl]-5H-1,4-benzoxazepin-3-one
CID 53152481
8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
CID 22971527
14,16-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
CID 135058613
5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one
CID 69390550
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
6-amino-2-(3-chlorophenyl)-3H-isoindol-1-one
CID 82165712
6-bromo-3-oxo-2-phenyl-1H-isoindole-4-carboxylic acid
CID 118234207

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one?
The IUPAC name of 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one (CID 71748732) is 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one.
What is the SMILES notation for 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one?
The canonical SMILES for 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one is Cc1cccc2c1-c1cc3c(cc1CO2)C(=O)N(c1ccccc1)C3.
What is the InChIKey of 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one?
The InChIKey is LAIZKWFNMHCXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-6-5-9-20-21(14)18-10-15-12-23(17-7-3-2-4-8-17)22(24)19(15)11-16(18)13-25-20/h2-11H,12-13H2,1H3.
What are the key properties of 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one?
1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one has a molecular weight of 327.38 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-phenyl-6,10-dihydrochromeno[4,3-f]isoindol-8-one is sourced from PubChem (CID 71748732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).