[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone

C21H25NO3 — CID 91777127

IUPAC[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
SMILESCCCC1COCCN1C(=O)c1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C21H25NO3/c1-3-7-18-15-25-13-12-22(18)21(23)17-9-6-8-16(14-17)19-10-4-5-11-20(19)24-2/h4-6,8-11,14,18H,3,7,12-13,15H2,1-2H3
InChIKeyGDNLQJRRBCKRPV-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.00
Rot. Bonds5

About [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone

[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone (PubChem CID 91777127) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
PubChem CID91777127
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
SMILESCCCC1COCCN1C(=O)c1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C21H25NO3/c1-3-7-18-15-25-13-12-22(18)21(23)17-9-6-8-16(14-17)19-10-4-5-11-20(19)24-2/h4-6,8-11,14,18H,3,7,12-13,15H2,1-2H3
InChIKeyGDNLQJRRBCKRPV-UHFFFAOYSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
CID 125164657
6-[3-[(3S)-3-propylmorpholine-4-carbonyl]phenyl]-1H-pyridin-2-one
CID 126425423
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
3-(2-methoxyphenyl)benzoic acid
CID 2759547
(2-amino-6-methoxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 81420429
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 91793401
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone?
The IUPAC name of [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone (CID 91777127) is [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone is CCCC1COCCN1C(=O)c1cccc(-c2ccccc2OC)c1.
What is the InChIKey of [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone?
The InChIKey is GDNLQJRRBCKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-7-18-15-25-13-12-22(18)21(23)17-9-6-8-16(14-17)19-10-4-5-11-20(19)24-2/h4-6,8-11,14,18H,3,7,12-13,15H2,1-2H3.
What are the key properties of [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone?
[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone is sourced from PubChem (CID 91777127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).