[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate

C23H30O4 — CID 59464519

IUPAC[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate
SMILESCOC(C)c1ccc(COCC(C)COC(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C23H30O4/c1-17(15-27-23(24)18(2)21-8-6-5-7-9-21)14-26-16-20-10-12-22(13-11-20)19(3)25-4/h5-13,17-19H,14-16H2,1-4H3
InChIKeySKYCDGUCDCMXRY-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.89
Rot. Bonds10

About [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate

[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate (PubChem CID 59464519) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate.

Molecular Properties

Compound Name[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate
PubChem CID59464519
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate
SMILESCOC(C)c1ccc(COCC(C)COC(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C23H30O4/c1-17(15-27-23(24)18(2)21-8-6-5-7-9-21)14-26-16-20-10-12-22(13-11-20)19(3)25-4/h5-13,17-19H,14-16H2,1-4H3
InChIKeySKYCDGUCDCMXRY-UHFFFAOYSA-N
XLogP4.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
CID 59464469
[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate
CID 59464443
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid
CID 114208234
[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
CID 10264907
ethyl (2S)-2-phenylpropanoate
CID 7204861
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
benzyl 2-[4-(trifluoromethoxy)phenyl]propanoate
CID 138500834
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-hydroxypentyl 2-phenylpropanoate
CID 168936674

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate?
The IUPAC name of [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate (CID 59464519) is [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate.
What is the SMILES notation for [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate?
The canonical SMILES for [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate is COC(C)c1ccc(COCC(C)COC(=O)C(C)c2ccccc2)cc1.
What is the InChIKey of [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate?
The InChIKey is SKYCDGUCDCMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-17(15-27-23(24)18(2)21-8-6-5-7-9-21)14-26-16-20-10-12-22(13-11-20)19(3)25-4/h5-13,17-19H,14-16H2,1-4H3.
What are the key properties of [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate?
[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate has a molecular weight of 370.49 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate is sourced from PubChem (CID 59464519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).