4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene

C22H24O2 — CID 67527926

IUPAC4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene
SMILESCC(C)COC(=Cc1ccccc1)OCc1cccc2c1C=CC2
InChIInChI=1S/C22H24O2/c1-17(2)15-23-22(14-18-8-4-3-5-9-18)24-16-20-12-6-10-19-11-7-13-21(19)20/h3-10,12-14,17H,11,15-16H2,1-2H3
InChIKeyISWBFRNDMQKEHT-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.44
Rot. Bonds7

About 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene

4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene (PubChem CID 67527926) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene.

Molecular Properties

Compound Name4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene
PubChem CID67527926
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene
SMILESCC(C)COC(=Cc1ccccc1)OCc1cccc2c1C=CC2
InChIInChI=1S/C22H24O2/c1-17(2)15-23-22(14-18-8-4-3-5-9-18)24-16-20-12-6-10-19-11-7-13-21(19)20/h3-10,12-14,17H,11,15-16H2,1-2H3
InChIKeyISWBFRNDMQKEHT-UHFFFAOYSA-N
XLogP5.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene
CID 66721866
1H-indene;2-methylprop-1-enylbenzene
CID 159355673
1H-inden-4-ylmethyl 1,2-dihydroacenaphthylene-3-carboxylate
CID 155120308
ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate
CID 143603022
(2-butoxy-2-methoxyethenyl)benzene
CID 159522831
3-(3-ethylphenyl)-2-(2-methylpropoxy)-1-phenylprop-2-en-1-one
CID 70291822
bis(2-methylpropyl) 2-cinnamylidenepropanedioate
CID 3022515
1-(benzylideneamino)ethanol
CID 66697160
1H-inden-4-yl(diphenyl)phosphane
CID 102082099
2-methylpropyl 3-[2-[3-(2-methylpropoxy)-3-oxopropyl]phenyl]propanoate
CID 146794559
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445
2-hydroxypropyl 2-methyl-3-phenylprop-2-enoate
CID 175381325

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene?
The IUPAC name of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene (CID 67527926) is 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene.
What is the SMILES notation for 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene?
The canonical SMILES for 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene is CC(C)COC(=Cc1ccccc1)OCc1cccc2c1C=CC2.
What is the InChIKey of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene?
The InChIKey is ISWBFRNDMQKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-17(2)15-23-22(14-18-8-4-3-5-9-18)24-16-20-12-6-10-19-11-7-13-21(19)20/h3-10,12-14,17H,11,15-16H2,1-2H3.
What are the key properties of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene?
4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene has a molecular weight of 320.43 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene is sourced from PubChem (CID 67527926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).