4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid

C20H23NO5 — CID 68727410

IUPAC4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2cccc(OCCN3CCOCC3)c2)cc1
InChIInChI=1S/C20H23NO5/c22-20(23)17-4-6-18(7-5-17)26-15-16-2-1-3-19(14-16)25-13-10-21-8-11-24-12-9-21/h1-7,14H,8-13,15H2,(H,22,23)
InChIKeyOSUZALQWJHVGRZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.67
Rot. Bonds8

About 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid

4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid (PubChem CID 68727410) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
PubChem CID68727410
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2cccc(OCCN3CCOCC3)c2)cc1
InChIInChI=1S/C20H23NO5/c22-20(23)17-4-6-18(7-5-17)26-15-16-2-1-3-19(14-16)25-13-10-21-8-11-24-12-9-21/h1-7,14H,8-13,15H2,(H,22,23)
InChIKeyOSUZALQWJHVGRZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 91839442
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 70473463
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 122609252
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid?
The IUPAC name of 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid (CID 68727410) is 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid?
The canonical SMILES for 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid is O=C(O)c1ccc(OCc2cccc(OCCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid?
The InChIKey is OSUZALQWJHVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c22-20(23)17-4-6-18(7-5-17)26-15-16-2-1-3-19(14-16)25-13-10-21-8-11-24-12-9-21/h1-7,14H,8-13,15H2,(H,22,23).
What are the key properties of 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid?
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 68727410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).