4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid

C23H23NO5 — CID 15527513

IUPAC4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid
SMILESCOc1cccc(-c2cc(CN3CCOCC3)c(-c3ccc(C(=O)O)cc3)o2)c1
InChIInChI=1S/C23H23NO5/c1-27-20-4-2-3-18(13-20)21-14-19(15-24-9-11-28-12-10-24)22(29-21)16-5-7-17(8-6-16)23(25)26/h2-8,13-14H,9-12,15H2,1H3,(H,25,26)
InChIKeyORRVNKVJOUBUGP-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.15
Rot. Bonds6

About 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid

4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid (PubChem CID 15527513) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid
PubChem CID15527513
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid
SMILESCOc1cccc(-c2cc(CN3CCOCC3)c(-c3ccc(C(=O)O)cc3)o2)c1
InChIInChI=1S/C23H23NO5/c1-27-20-4-2-3-18(13-20)21-14-19(15-24-9-11-28-12-10-24)22(29-21)16-5-7-17(8-6-16)23(25)26/h2-8,13-14H,9-12,15H2,1H3,(H,25,26)
InChIKeyORRVNKVJOUBUGP-UHFFFAOYSA-N
XLogP4.15
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1H-benzimidazol-1-ium-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)furan-2-yl]benzoic acid;2,2,2-trifluoroacetate
CID 54557401
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
4-[[1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl]amino]benzoic acid
CID 68512380
1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide
CID 46981136
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1255776

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid (CID 15527513) is 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid is COc1cccc(-c2cc(CN3CCOCC3)c(-c3ccc(C(=O)O)cc3)o2)c1.
What is the InChIKey of 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid?
The InChIKey is ORRVNKVJOUBUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-20-4-2-3-18(13-20)21-14-19(15-24-9-11-28-12-10-24)22(29-21)16-5-7-17(8-6-16)23(25)26/h2-8,13-14H,9-12,15H2,1H3,(H,25,26).
What are the key properties of 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid?
4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid has a molecular weight of 393.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid is sourced from PubChem (CID 15527513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).