7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole

C16H17NO — CID 84736877

IUPAC7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCOc1cccc2c1C(c1ccc(C)cc1)NC2
InChIInChI=1S/C16H17NO/c1-11-6-8-12(9-7-11)16-15-13(10-17-16)4-3-5-14(15)18-2/h3-9,16-17H,10H2,1-2H3
InChIKeyOFZMYGWYRADENW-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.20
Rot. Bonds2

About 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole

7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 84736877) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID84736877
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCOc1cccc2c1C(c1ccc(C)cc1)NC2
InChIInChI=1S/C16H17NO/c1-11-6-8-12(9-7-11)16-15-13(10-17-16)4-3-5-14(15)18-2/h3-9,16-17H,10H2,1-2H3
InChIKeyOFZMYGWYRADENW-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
CID 54477887
3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64687411
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737224
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 10540962
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 105477375
9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 84619158
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
CID 105443737
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole (CID 84736877) is 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole is COc1cccc2c1C(c1ccc(C)cc1)NC2.
What is the InChIKey of 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is OFZMYGWYRADENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-8-12(9-7-11)16-15-13(10-17-16)4-3-5-14(15)18-2/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole?
7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 239.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84736877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).