2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole

C22H21NO — CID 171397259

IUPAC2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
SMILESc1ccc(COc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C22H21NO/c1-3-7-18(8-4-1)14-23-15-20-11-12-22(13-21(20)16-23)24-17-19-9-5-2-6-10-19/h1-13H,14-17H2
InChIKeyPKQYOAPAIKBRQO-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.78
Rot. Bonds5

About 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole

2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole (PubChem CID 171397259) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
PubChem CID171397259
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
SMILESc1ccc(COc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C22H21NO/c1-3-7-18(8-4-1)14-23-15-20-11-12-22(13-21(20)16-23)24-17-19-9-5-2-6-10-19/h1-13H,14-17H2
InChIKeyPKQYOAPAIKBRQO-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
(3aR,9bR)-2-benzyl-8-phenylmethoxy-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
CID 59448433
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155535049
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline
CID 141038257
3-benzyl-6-ethoxy-2,4-dihydro-1,3-benzoxazine
CID 939627
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole?
The IUPAC name of 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole (CID 171397259) is 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole?
The canonical SMILES for 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole is c1ccc(COc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole?
The InChIKey is PKQYOAPAIKBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-3-7-18(8-4-1)14-23-15-20-11-12-22(13-21(20)16-23)24-17-19-9-5-2-6-10-19/h1-13H,14-17H2.
What are the key properties of 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole?
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole has a molecular weight of 315.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole is sourced from PubChem (CID 171397259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).