2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid

C22H23Cl2NO6 — CID 11990630

IUPAC2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
SMILESCC(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C22H23Cl2NO6/c1-14(22(28)25-6-8-29-9-7-25)31-20-5-3-18(24)12-16(20)10-15-11-17(23)2-4-19(15)30-13-21(26)27/h2-5,11-12,14H,6-10,13H2,1H3,(H,26,27)
InChIKeyFHOIWXWFQLJBRQ-UHFFFAOYSA-N
MW468.33 g/mol
LogP3.67
Rot. Bonds8

About 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid

2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid (PubChem CID 11990630) has the molecular formula C22H23Cl2NO6 and a molecular weight of 468.33 g/mol. Its IUPAC name is 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
PubChem CID11990630
Molecular FormulaC22H23Cl2NO6
Molecular Weight468.33 g/mol
Exact Mass467.09
IUPAC Name2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
SMILESCC(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C22H23Cl2NO6/c1-14(22(28)25-6-8-29-9-7-25)31-20-5-3-18(24)12-16(20)10-15-11-17(23)2-4-19(15)30-13-21(26)27/h2-5,11-12,14H,6-10,13H2,1H3,(H,26,27)
InChIKeyFHOIWXWFQLJBRQ-UHFFFAOYSA-N
XLogP3.67
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
CID 43324773
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43516184
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 52507381
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid (CID 11990630) is 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid is CC(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid?
The InChIKey is FHOIWXWFQLJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO6/c1-14(22(28)25-6-8-29-9-7-25)31-20-5-3-18(24)12-16(20)10-15-11-17(23)2-4-19(15)30-13-21(26)27/h2-5,11-12,14H,6-10,13H2,1H3,(H,26,27).
What are the key properties of 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid?
2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid has a molecular weight of 468.33 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 11990630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).