3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid

C25H26O4 — CID 71188660

IUPAC3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
SMILESCCOc1cccc(-c2ccc(COc3ccc(C(C)CC(=O)O)cc3)cc2)c1
InChIInChI=1S/C25H26O4/c1-3-28-24-6-4-5-22(16-24)21-9-7-19(8-10-21)17-29-23-13-11-20(12-14-23)18(2)15-25(26)27/h4-14,16,18H,3,15,17H2,1-2H3,(H,26,27)
InChIKeyGLSYYCAAPMFZCZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.91
Rot. Bonds9

About 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid

3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid (PubChem CID 71188660) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
PubChem CID71188660
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
SMILESCCOc1cccc(-c2ccc(COc3ccc(C(C)CC(=O)O)cc3)cc2)c1
InChIInChI=1S/C25H26O4/c1-3-28-24-6-4-5-22(16-24)21-9-7-19(8-10-21)17-29-23-13-11-20(12-14-23)18(2)15-25(26)27/h4-14,16,18H,3,15,17H2,1-2H3,(H,26,27)
InChIKeyGLSYYCAAPMFZCZ-UHFFFAOYSA-N
XLogP5.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
3-[4-[[3-(4-cyanophenyl)phenyl]methoxy]phenyl]butanoic acid
CID 70842739
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 51350137
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
3-[4-[(4-phenylphenyl)methoxy]phenyl]hex-4-ynoic acid
CID 57391960
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
(3S)-3-[3-[(4-bromo-3-butoxyphenyl)methoxy]phenyl]butanoic acid
CID 68756458
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
The IUPAC name of 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid (CID 71188660) is 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid is CCOc1cccc(-c2ccc(COc3ccc(C(C)CC(=O)O)cc3)cc2)c1.
What is the InChIKey of 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
The InChIKey is GLSYYCAAPMFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-3-28-24-6-4-5-22(16-24)21-9-7-19(8-10-21)17-29-23-13-11-20(12-14-23)18(2)15-25(26)27/h4-14,16,18H,3,15,17H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 71188660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).