2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid

C13H16ClNO4 — CID 54251602

IUPAC2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
SMILESCOc1cc(N2CCOCC2)c(Cl)cc1CC(=O)O
InChIInChI=1S/C13H16ClNO4/c1-18-12-8-11(15-2-4-19-5-3-15)10(14)6-9(12)7-13(16)17/h6,8H,2-5,7H2,1H3,(H,16,17)
InChIKeyQXDGJXPKPBZYGG-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.81
Rot. Bonds4

About 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid

2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid (PubChem CID 54251602) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
PubChem CID54251602
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
SMILESCOc1cc(N2CCOCC2)c(Cl)cc1CC(=O)O
InChIInChI=1S/C13H16ClNO4/c1-18-12-8-11(15-2-4-19-5-3-15)10(14)6-9(12)7-13(16)17/h6,8H,2-5,7H2,1H3,(H,16,17)
InChIKeyQXDGJXPKPBZYGG-UHFFFAOYSA-N
XLogP1.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
CID 170884270
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
3-(2,5-dichloro-4-morpholin-4-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881368
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877805
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
CID 139510840
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 25247132
1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
CID 82123223

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid (CID 54251602) is 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid is COc1cc(N2CCOCC2)c(Cl)cc1CC(=O)O.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid?
The InChIKey is QXDGJXPKPBZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-18-12-8-11(15-2-4-19-5-3-15)10(14)6-9(12)7-13(16)17/h6,8H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid?
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid has a molecular weight of 285.73 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid is sourced from PubChem (CID 54251602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).