2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid

C20H22ClNO4 — CID 122558845

IUPAC2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid
SMILESCC(c1ccc(-c2ccc(OCC(=O)O)c(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClNO4/c1-14(22-8-10-25-11-9-22)15-2-4-16(5-3-15)17-6-7-19(18(21)12-17)26-13-20(23)24/h2-7,12,14H,8-11,13H2,1H3,(H,23,24)
InChIKeyQAWQVOQYIKLPFC-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.86
Rot. Bonds6

About 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid

2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid (PubChem CID 122558845) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid
PubChem CID122558845
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid
SMILESCC(c1ccc(-c2ccc(OCC(=O)O)c(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClNO4/c1-14(22-8-10-25-11-9-22)15-2-4-16(5-3-15)17-6-7-19(18(21)12-17)26-13-20(23)24/h2-7,12,14H,8-11,13H2,1H3,(H,23,24)
InChIKeyQAWQVOQYIKLPFC-UHFFFAOYSA-N
XLogP3.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-4-[4-(1-morpholin-4-ylethyl)phenyl]phenyl]acetamide
CID 56707432
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
2-[4-[1-[4-(carboxymethoxy)-3-chlorophenyl]-2,2,2-trichloroethyl]-2-chlorophenoxy]acetic acid
CID 11799620
2-(2-chloro-4-phenylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55549199
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione
CID 125444838
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
CID 11990630

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid (CID 122558845) is 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid is CC(c1ccc(-c2ccc(OCC(=O)O)c(Cl)c2)cc1)N1CCOCC1.
What is the InChIKey of 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid?
The InChIKey is QAWQVOQYIKLPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-14(22-8-10-25-11-9-22)15-2-4-16(5-3-15)17-6-7-19(18(21)12-17)26-13-20(23)24/h2-7,12,14H,8-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid?
2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid has a molecular weight of 375.85 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 122558845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).