5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole

C15H14ClNO — CID 115104574

IUPAC5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESClc1cccc(OCc2ccc3c(c2)CNC3)c1
InChIInChI=1S/C15H14ClNO/c16-14-2-1-3-15(7-14)18-10-11-4-5-12-8-17-9-13(12)6-11/h1-7,17H,8-10H2
InChIKeyDBVIMEAOJRALBD-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.52
Rot. Bonds3

About 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole

5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 115104574) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
PubChem CID115104574
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESClc1cccc(OCc2ccc3c(c2)CNC3)c1
InChIInChI=1S/C15H14ClNO/c16-14-2-1-3-15(7-14)18-10-11-4-5-12-8-17-9-13(12)6-11/h1-7,17H,8-10H2
InChIKeyDBVIMEAOJRALBD-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104581
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
4-[(3-chlorophenoxy)methyl]-1,2,3,6-tetrahydropyridine
CID 117125457
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole (CID 115104574) is 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole is Clc1cccc(OCc2ccc3c(c2)CNC3)c1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is DBVIMEAOJRALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-2-1-3-15(7-14)18-10-11-4-5-12-8-17-9-13(12)6-11/h1-7,17H,8-10H2.
What are the key properties of 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 259.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115104574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).