3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole

C15H14ClNO — CID 115104047

IUPAC3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
SMILESClc1cccc(OCC2CNc3ccccc32)c1
InChIInChI=1S/C15H14ClNO/c16-12-4-3-5-13(8-12)18-10-11-9-17-15-7-2-1-6-14(11)15/h1-8,11,17H,9-10H2
InChIKeyQSYAGOPKUOCGBZ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.93
Rot. Bonds3

About 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole

3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole (PubChem CID 115104047) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
PubChem CID115104047
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
SMILESClc1cccc(OCC2CNc3ccccc32)c1
InChIInChI=1S/C15H14ClNO/c16-12-4-3-5-13(8-12)18-10-11-9-17-15-7-2-1-6-14(11)15/h1-8,11,17H,9-10H2
InChIKeyQSYAGOPKUOCGBZ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104050
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567011
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
CID 82293207
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-(bromomethoxy)-3-chlorobenzene
CID 22961199

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole (CID 115104047) is 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole is Clc1cccc(OCC2CNc3ccccc32)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole?
The InChIKey is QSYAGOPKUOCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-12-4-3-5-13(8-12)18-10-11-9-17-15-7-2-1-6-14(11)15/h1-8,11,17H,9-10H2.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole?
3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole has a molecular weight of 259.74 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115104047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).