4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine

C21H26ClNO3 — CID 170870445

IUPAC4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCc1cccc(Cl)c1
InChIInChI=1S/C21H26ClNO3/c1-24-20-9-3-6-18(7-4-10-23-11-13-25-14-12-23)21(20)26-16-17-5-2-8-19(22)15-17/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3
InChIKeyXUQHBLSFTYYTIO-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.19
Rot. Bonds8

About 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine

4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine (PubChem CID 170870445) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
PubChem CID170870445
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCc1cccc(Cl)c1
InChIInChI=1S/C21H26ClNO3/c1-24-20-9-3-6-18(7-4-10-23-11-13-25-14-12-23)21(20)26-16-17-5-2-8-19(22)15-17/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3
InChIKeyXUQHBLSFTYYTIO-UHFFFAOYSA-N
XLogP4.19
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870456
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289346
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870408

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine (CID 170870445) is 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine is COc1cccc(CCCN2CCOCC2)c1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The InChIKey is XUQHBLSFTYYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-24-20-9-3-6-18(7-4-10-23-11-13-25-14-12-23)21(20)26-16-17-5-2-8-19(22)15-17/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3.
What are the key properties of 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine has a molecular weight of 375.90 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170870445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).