(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone

C19H21NO4 — CID 16894714

IUPAC(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C19H21NO4/c1-22-16-9-8-15(12-17(16)23-2)19(21)20-10-11-24-18(13-20)14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyVRDSBOMTZFXNBA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.92
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone

(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894714) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894714
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C19H21NO4/c1-22-16-9-8-15(12-17(16)23-2)19(21)20-10-11-24-18(13-20)14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyVRDSBOMTZFXNBA-UHFFFAOYSA-N
XLogP2.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
5-methoxy-2-(2-phenylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 128963323
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804
(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95550019
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894714) is (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone is COc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is VRDSBOMTZFXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-9-8-15(12-17(16)23-2)19(21)20-10-11-24-18(13-20)14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone?
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).