(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine

C19H22ClNO4 — CID 68598616

IUPAC(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(C(Oc2ccc(Cl)cc2OC)[C@@H]2CNCCO2)c1
InChIInChI=1S/C19H22ClNO4/c1-22-15-5-3-4-13(10-15)19(18-12-21-8-9-24-18)25-16-7-6-14(20)11-17(16)23-2/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3/t18-,19?/m0/s1
InChIKeyBCFTYYKWTOXGFH-OYKVQYDMSA-N
MW363.84 g/mol
LogP3.47
Rot. Bonds6

About (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine

(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine (PubChem CID 68598616) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
PubChem CID68598616
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(C(Oc2ccc(Cl)cc2OC)[C@@H]2CNCCO2)c1
InChIInChI=1S/C19H22ClNO4/c1-22-15-5-3-4-13(10-15)19(18-12-21-8-9-24-18)25-16-7-6-14(20)11-17(16)23-2/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3/t18-,19?/m0/s1
InChIKeyBCFTYYKWTOXGFH-OYKVQYDMSA-N
XLogP3.47
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine (CID 68598616) is (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine is COc1cccc(C(Oc2ccc(Cl)cc2OC)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine?
The InChIKey is BCFTYYKWTOXGFH-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-22-15-5-3-4-13(10-15)19(18-12-21-8-9-24-18)25-16-7-6-14(20)11-17(16)23-2/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3/t18-,19?/m0/s1.
What are the key properties of (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine?
(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine has a molecular weight of 363.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 68598616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).