5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole

C16H17NO — CID 62502645

IUPAC5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(-c2ccc3c(c2)CCN3)cc1C
InChIInChI=1S/C16H17NO/c1-11-9-12(4-6-16(11)18-2)13-3-5-15-14(10-13)7-8-17-15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyDBTPQGJEADVQGT-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.64
Rot. Bonds2

About 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole

5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 62502645) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID62502645
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(-c2ccc3c(c2)CCN3)cc1C
InChIInChI=1S/C16H17NO/c1-11-9-12(4-6-16(11)18-2)13-3-5-15-14(10-13)7-8-17-15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyDBTPQGJEADVQGT-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
CID 82039141
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole (CID 62502645) is 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole is COc1ccc(-c2ccc3c(c2)CCN3)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is DBTPQGJEADVQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-9-12(4-6-16(11)18-2)13-3-5-15-14(10-13)7-8-17-15/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 62502645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).