5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole

C16H16ClNO — CID 4030733

IUPAC5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cc(Cl)cc(C)c3N2)cc1
InChIInChI=1S/C16H16ClNO/c1-10-7-13(17)8-12-9-15(18-16(10)12)11-3-5-14(19-2)6-4-11/h3-8,15,18H,9H2,1-2H3
InChIKeyDJPAQORKBAFTSH-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.37
Rot. Bonds2

About 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole

5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 4030733) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID4030733
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cc(Cl)cc(C)c3N2)cc1
InChIInChI=1S/C16H16ClNO/c1-10-7-13(17)8-12-9-15(18-16(10)12)11-3-5-14(19-2)6-4-11/h3-8,15,18H,9H2,1-2H3
InChIKeyDJPAQORKBAFTSH-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4311958
5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 4013983
5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3505165
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
7-methyl-2-pyridin-4-yl-2,3-dihydro-1H-indole
CID 4591288
5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole
CID 3950781
7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3689001
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
CID 4045651
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole
CID 3395417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole (CID 4030733) is 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole is COc1ccc(C2Cc3cc(Cl)cc(C)c3N2)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is DJPAQORKBAFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-7-13(17)8-12-9-15(18-16(10)12)11-3-5-14(19-2)6-4-11/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 273.76 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4030733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).