2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid

C14H17Cl2NO3 — CID 66433750

IUPAC2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1cc(Cl)ccc1Cl)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H17Cl2NO3/c1-9(12-6-10(15)2-3-13(12)16)17-4-5-20-11(8-17)7-14(18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyXBEHDKQWQYJZLU-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid

2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66433750) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
PubChem CID66433750
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1cc(Cl)ccc1Cl)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H17Cl2NO3/c1-9(12-6-10(15)2-3-13(12)16)17-4-5-20-11(8-17)7-14(18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyXBEHDKQWQYJZLU-UHFFFAOYSA-N
XLogP3.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
2-[4-(3-bromo-4-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 106605509
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid (CID 66433750) is 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid is CC(c1cc(Cl)ccc1Cl)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is XBEHDKQWQYJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(12-6-10(15)2-3-13(12)16)17-4-5-20-11(8-17)7-14(18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid?
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 318.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).