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

C25H26O4 — CID 71188659

IUPAC3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
SMILESCCOc1ccc(-c2cccc(COc3ccc(C(C)CC(=O)O)cc3)c2)cc1
InChIInChI=1S/C25H26O4/c1-3-28-23-13-9-21(10-14-23)22-6-4-5-19(16-22)17-29-24-11-7-20(8-12-24)18(2)15-25(26)27/h4-14,16,18H,3,15,17H2,1-2H3,(H,26,27)
InChIKeyQDMMNNSVKYLHOT-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.91
Rot. Bonds9

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

3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid (PubChem CID 71188659) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
PubChem CID71188659
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
SMILESCCOc1ccc(-c2cccc(COc3ccc(C(C)CC(=O)O)cc3)c2)cc1
InChIInChI=1S/C25H26O4/c1-3-28-23-13-9-21(10-14-23)22-6-4-5-19(16-22)17-29-24-11-7-20(8-12-24)18(2)15-25(26)27/h4-14,16,18H,3,15,17H2,1-2H3,(H,26,27)
InChIKeyQDMMNNSVKYLHOT-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-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188660
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-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
4-methoxy-4-oxo-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]butanoic acid
CID 70932376
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
sodium;hydride;(3S)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 173102427
(3S)-3-[4-[[3-(dimethylamino)phenyl]methoxy]phenyl]-3-ethoxypropanoic acid
CID 124564505
(3S)-3-(5-methyl-1,2-oxazol-3-yl)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 59300623
4-hydroxyimino-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]butanoic acid
CID 173064196
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
methyl (3S)-3-[4-[[3-(4-methylphenyl)phenyl]methoxy]phenyl]-4-oxobutanoate
CID 88870261

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
The IUPAC name of 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid (CID 71188659) is 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid is CCOc1ccc(-c2cccc(COc3ccc(C(C)CC(=O)O)cc3)c2)cc1.
What is the InChIKey of 3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
The InChIKey is QDMMNNSVKYLHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-3-28-23-13-9-21(10-14-23)22-6-4-5-19(16-22)17-29-24-11-7-20(8-12-24)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-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid?
3-[4-[[3-(4-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-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 71188659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).