methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate

C23H30O4 — CID 143007390

IUPACmethyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate
SMILESCCc1ccc(OCCC(C)Oc2ccc(CCC(=O)OC)c(C)c2)cc1
InChIInChI=1S/C23H30O4/c1-5-19-6-10-21(11-7-19)26-15-14-18(3)27-22-12-8-20(17(2)16-22)9-13-23(24)25-4/h6-8,10-12,16,18H,5,9,13-15H2,1-4H3
InChIKeyGOIMRLWMHBOQAO-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.90
Rot. Bonds10

About methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate

methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate (PubChem CID 143007390) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate
PubChem CID143007390
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Namemethyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate
SMILESCCc1ccc(OCCC(C)Oc2ccc(CCC(=O)OC)c(C)c2)cc1
InChIInChI=1S/C23H30O4/c1-5-19-6-10-21(11-7-19)26-15-14-18(3)27-22-12-8-20(17(2)16-22)9-13-23(24)25-4/h6-8,10-12,16,18H,5,9,13-15H2,1-4H3
InChIKeyGOIMRLWMHBOQAO-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[(3R)-3-[4-ethyl-2-(2-phenylpropan-2-yl)phenoxy]butoxy]-2-methylphenyl]propanoate
CID 58753955
methyl 3-[4-[(3S)-3-hydroxypentoxy]-2-methylphenyl]propanoate
CID 58753636
methyl 3-[4-(3-hydroxypentoxy)-2-methylphenyl]propanoate
CID 58753810
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
3-[4-[(2R)-4-(4-ethyl-2-phenoxyphenoxy)butan-2-yl]oxy-2-methylphenyl]propanoic acid
CID 58753729
methyl 3-[2-methyl-4-[3-[2-(thiophene-2-carbonyl)-4-(trifluoromethoxy)phenoxy]butoxy]phenyl]propanoate
CID 58753765
3-[4-[(3R)-3-[4-ethyl-2-(N-methoxy-C-phenylcarbonimidoyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid
CID 87922701
ethyl 3-[2-ethyl-4-[(3R)-3-[4-ethyl-2-(2-methylphenoxy)phenoxy]butoxy]phenyl]propanoate
CID 58753906
[5-ethyl-2-[(2R)-4-(3-methyl-4-propylphenoxy)butan-2-yl]oxyphenyl]-phenylmethanol;formic acid
CID 143007296
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate?
The IUPAC name of methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate (CID 143007390) is methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate?
The canonical SMILES for methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate is CCc1ccc(OCCC(C)Oc2ccc(CCC(=O)OC)c(C)c2)cc1.
What is the InChIKey of methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate?
The InChIKey is GOIMRLWMHBOQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-5-19-6-10-21(11-7-19)26-15-14-18(3)27-22-12-8-20(17(2)16-22)9-13-23(24)25-4/h6-8,10-12,16,18H,5,9,13-15H2,1-4H3.
What are the key properties of methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate?
methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate has a molecular weight of 370.49 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate is sourced from PubChem (CID 143007390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).