3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride

C20H21Cl2NO3 — CID 142765975

IUPAC3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride
SMILESO=C(Cl)CCN1CCOC(c2cccc(OCc3ccccc3Cl)c2)C1
InChIInChI=1S/C20H21Cl2NO3/c21-18-7-2-1-4-16(18)14-26-17-6-3-5-15(12-17)19-13-23(10-11-25-19)9-8-20(22)24/h1-7,12,19H,8-11,13-14H2
InChIKeyWUOJPTILQGMPKJ-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.45
Rot. Bonds7

About 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride

3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride (PubChem CID 142765975) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride.

Molecular Properties

Compound Name3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride
PubChem CID142765975
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride
SMILESO=C(Cl)CCN1CCOC(c2cccc(OCc3ccccc3Cl)c2)C1
InChIInChI=1S/C20H21Cl2NO3/c21-18-7-2-1-4-16(18)14-26-17-6-3-5-15(12-17)19-13-23(10-11-25-19)9-8-20(22)24/h1-7,12,19H,8-11,13-14H2
InChIKeyWUOJPTILQGMPKJ-UHFFFAOYSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 124564162
3-[2-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142766039
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]morpholin-4-yl]propanoyl chloride
CID 142765936
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
3-[2-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032360
3-[2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]morpholin-4-yl]propanoic acid
CID 51001962
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-fluorophenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032572
3-[2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67033149
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[(2R)-2-[4-[(2-chlorophenyl)methylsulfanyl]phenyl]morpholin-4-yl]propanoic acid
CID 124564163
3-[2-[4-[(2-chloro-5-propylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032565

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride?
The IUPAC name of 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride (CID 142765975) is 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride.
What is the SMILES notation for 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride?
The canonical SMILES for 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride is O=C(Cl)CCN1CCOC(c2cccc(OCc3ccccc3Cl)c2)C1.
What is the InChIKey of 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride?
The InChIKey is WUOJPTILQGMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c21-18-7-2-1-4-16(18)14-26-17-6-3-5-15(12-17)19-13-23(10-11-25-19)9-8-20(22)24/h1-7,12,19H,8-11,13-14H2.
What are the key properties of 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride?
3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride has a molecular weight of 394.30 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride is sourced from PubChem (CID 142765975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).