2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole

C20H25NO — CID 175278665

IUPAC2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole
SMILESCCC(C)(C)N1Cc2cccc(OCc3ccccc3)c2C1
InChIInChI=1S/C20H25NO/c1-4-20(2,3)21-13-17-11-8-12-19(18(17)14-21)22-15-16-9-6-5-7-10-16/h5-12H,4,13-15H2,1-3H3
InChIKeyJDFUXCRSZYLCPH-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.77
Rot. Bonds5

About 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole

2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole (PubChem CID 175278665) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole
PubChem CID175278665
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole
SMILESCCC(C)(C)N1Cc2cccc(OCc3ccccc3)c2C1
InChIInChI=1S/C20H25NO/c1-4-20(2,3)21-13-17-11-8-12-19(18(17)14-21)22-15-16-9-6-5-7-10-16/h5-12H,4,13-15H2,1-3H3
InChIKeyJDFUXCRSZYLCPH-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-methyl-1,3-dihydroisoindole;ethane
CID 156742549
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
8-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102424590
4-phenylmethoxy-1H-indene
CID 118181545
tert-butyl 3-[[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]oxymethyl]azetidine-1-carboxylate
CID 166485944
(2-pentyl-4-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450218
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
2-phenylmethoxybenzonitrile;propane
CID 142369146
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylphenyl]-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 46915346
4-hydroxy-2-methyl-9-phenylmethoxy-1H-benzo[e]isoindol-3-one
CID 132503975

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole?
The IUPAC name of 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole (CID 175278665) is 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole?
The canonical SMILES for 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole is CCC(C)(C)N1Cc2cccc(OCc3ccccc3)c2C1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole?
The InChIKey is JDFUXCRSZYLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-20(2,3)21-13-17-11-8-12-19(18(17)14-21)22-15-16-9-6-5-7-10-16/h5-12H,4,13-15H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole?
2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole has a molecular weight of 295.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole is sourced from PubChem (CID 175278665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).