[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate

C23H30O3 — CID 155131024

IUPAC[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate
SMILESCC(C)(COC(C)(C)c1ccc(C(C)(C)c2ccccc2)cc1)OC=O
InChIInChI=1S/C23H30O3/c1-21(2,26-17-24)16-25-23(5,6)20-14-12-19(13-15-20)22(3,4)18-10-8-7-9-11-18/h7-15,17H,16H2,1-6H3
InChIKeyAYUONSGHYXCUEY-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.22
Rot. Bonds8

About [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate

[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate (PubChem CID 155131024) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate.

Molecular Properties

Compound Name[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate
PubChem CID155131024
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate
SMILESCC(C)(COC(C)(C)c1ccc(C(C)(C)c2ccccc2)cc1)OC=O
InChIInChI=1S/C23H30O3/c1-21(2,26-17-24)16-25-23(5,6)20-14-12-19(13-15-20)22(3,4)18-10-8-7-9-11-18/h7-15,17H,16H2,1-6H3
InChIKeyAYUONSGHYXCUEY-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
[4-[2-[4-[2-[4-[2-(3-acetyloxy-3-methylbutoxy)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]-2-methylbutan-2-yl] acetate
CID 169145166
tert-butylbenzene;methyl formate
CID 174802474
2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
CID 175105136
1,4-bis(1-ethenoxy-1-phenylethyl)benzene
CID 22935837
2-(4-phenylphenyl)propan-2-yloxymethanamine
CID 155337382
3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine
CID 2581421
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate?
The IUPAC name of [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate (CID 155131024) is [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate.
What is the SMILES notation for [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate?
The canonical SMILES for [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate is CC(C)(COC(C)(C)c1ccc(C(C)(C)c2ccccc2)cc1)OC=O.
What is the InChIKey of [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate?
The InChIKey is AYUONSGHYXCUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-21(2,26-17-24)16-25-23(5,6)20-14-12-19(13-15-20)22(3,4)18-10-8-7-9-11-18/h7-15,17H,16H2,1-6H3.
What are the key properties of [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate?
[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate has a molecular weight of 354.49 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate is sourced from PubChem (CID 155131024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).