5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole

C15H14ClNO — CID 115104581

IUPAC5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESClc1ccc(OCc2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C15H14ClNO/c16-14-3-5-15(6-4-14)18-10-11-1-2-12-8-17-9-13(12)7-11/h1-7,17H,8-10H2
InChIKeyKVHFEKWZVHTFFE-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.52
Rot. Bonds3

About 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole

5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 115104581) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
PubChem CID115104581
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESClc1ccc(OCc2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C15H14ClNO/c16-14-3-5-15(6-4-14)18-10-11-1-2-12-8-17-9-13(12)7-11/h1-7,17H,8-10H2
InChIKeyKVHFEKWZVHTFFE-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-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104574
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 10390402
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 167432009
(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856
6-[(4-chlorophenyl)methoxy]-1H-indole
CID 154090222

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole (CID 115104581) is 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole is Clc1ccc(OCc2ccc3c(c2)CNC3)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is KVHFEKWZVHTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-3-5-15(6-4-14)18-10-11-1-2-12-8-17-9-13(12)7-11/h1-7,17H,8-10H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole?
5-[(4-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-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115104581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).