(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone

C17H23NO4 — CID 19866792

IUPAC(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2(N3CCOCC3)CCCOC2)cc1
InChIInChI=1S/C17H23NO4/c1-20-15-5-3-14(4-6-15)16(19)17(7-2-10-22-13-17)18-8-11-21-12-9-18/h3-6H,2,7-13H2,1H3
InChIKeyAJOHQJCGGWSKQL-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.76
Rot. Bonds4

About (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone

(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone (PubChem CID 19866792) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone
PubChem CID19866792
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2(N3CCOCC3)CCCOC2)cc1
InChIInChI=1S/C17H23NO4/c1-20-15-5-3-14(4-6-15)16(19)17(7-2-10-22-13-17)18-8-11-21-12-9-18/h3-6H,2,7-13H2,1H3
InChIKeyAJOHQJCGGWSKQL-UHFFFAOYSA-N
XLogP1.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone
CID 19866797
(2-methoxyphenyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059290
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235750
3-[2-(4-methoxyphenyl)ethyl]oxane-3-carboxylic acid
CID 103719445
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-methoxybenzamide
CID 110637636

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone (CID 19866792) is (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone is COc1ccc(C(=O)C2(N3CCOCC3)CCCOC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone?
The InChIKey is AJOHQJCGGWSKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-15-5-3-14(4-6-15)16(19)17(7-2-10-22-13-17)18-8-11-21-12-9-18/h3-6H,2,7-13H2,1H3.
What are the key properties of (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone?
(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone has a molecular weight of 305.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone is sourced from PubChem (CID 19866792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).