4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene

C25H24O2 — CID 66721866

IUPAC4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene
SMILESCC(C)COC(=Cc1ccccc1)OCc1cc2c3c(cccc3c1)C=C2
InChIInChI=1S/C25H24O2/c1-18(2)16-26-24(15-19-7-4-3-5-8-19)27-17-20-13-22-10-6-9-21-11-12-23(14-20)25(21)22/h3-15,18H,16-17H2,1-2H3
InChIKeyGFKDTSPITAIYEJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.51
Rot. Bonds7

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

4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene (PubChem CID 66721866) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene.

Molecular Properties

Compound Name4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene
PubChem CID66721866
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene
SMILESCC(C)COC(=Cc1ccccc1)OCc1cc2c3c(cccc3c1)C=C2
InChIInChI=1S/C25H24O2/c1-18(2)16-26-24(15-19-7-4-3-5-8-19)27-17-20-13-22-10-6-9-21-11-12-23(14-20)25(21)22/h3-15,18H,16-17H2,1-2H3
InChIKeyGFKDTSPITAIYEJ-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.51
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]-1H-indene
CID 67527926
3-(3-ethylphenyl)-2-(2-methylpropoxy)-1-phenylprop-2-en-1-one
CID 70291822
1-O-(2-methylpropyl) 3-O-(naphthalen-2-ylmethyl) 2,2-dimethylpropanedioate
CID 91717272
5-O-(2-methylpropyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717144
4-O-(2-methylpropyl) 1-O-[(4-phenoxyphenyl)methyl] butanedioate
CID 91728342
3-[3-(2-methylpropoxymethyl)phenyl]prop-2-enoic acid
CID 54974638
(2-butoxy-2-methoxyethenyl)benzene
CID 159522831
(3-phenoxyphenyl)methyl (E)-3-methyl-4-phenyl-2-propan-2-ylbut-3-enoate
CID 12895331
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
2-methylpropyl acetate;toluene
CID 19602176
2-methylpropyl 2-(2-methylpropoxy)-2-(phenylmethoxycarbonylamino)acetate
CID 10759382
5-O-(2-methylpropyl) 1-O-[(3-phenoxyphenyl)methyl] pentanedioate
CID 91728129

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene?
The IUPAC name of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene (CID 66721866) is 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene.
What is the SMILES notation for 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene?
The canonical SMILES for 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene is CC(C)COC(=Cc1ccccc1)OCc1cc2c3c(cccc3c1)C=C2.
What is the InChIKey of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene?
The InChIKey is GFKDTSPITAIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-18(2)16-26-24(15-19-7-4-3-5-8-19)27-17-20-13-22-10-6-9-21-11-12-23(14-20)25(21)22/h3-15,18H,16-17H2,1-2H3.
What are the key properties of 4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene?
4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]acenaphthylene has a molecular weight of 356.47 g/mol, XLogP of 6.51, 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]acenaphthylene is sourced from PubChem (CID 66721866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).