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

C15H14ClNO — CID 3689001

IUPAC7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cccc(C2Cc3cccc(Cl)c3N2)c1
InChIInChI=1S/C15H14ClNO/c1-18-12-6-2-4-10(8-12)14-9-11-5-3-7-13(16)15(11)17-14/h2-8,14,17H,9H2,1H3
InChIKeyKFDZRLDPUMGFCS-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.06
Rot. Bonds2

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

7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 3689001) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID3689001
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1cccc(C2Cc3cccc(Cl)c3N2)c1
InChIInChI=1S/C15H14ClNO/c1-18-12-6-2-4-10(8-12)14-9-11-5-3-7-13(16)15(11)17-14/h2-8,14,17H,9H2,1H3
InChIKeyKFDZRLDPUMGFCS-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole (CID 3689001) is 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole is COc1cccc(C2Cc3cccc(Cl)c3N2)c1.
What is the InChIKey of 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is KFDZRLDPUMGFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-18-12-6-2-4-10(8-12)14-9-11-5-3-7-13(16)15(11)17-14/h2-8,14,17H,9H2,1H3.
What are the key properties of 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole?
7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 259.74 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3689001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).