[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone

C18H27NO4 — CID 11359144

IUPAC[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
SMILESCCC(O)c1cccc(OC)c1C(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C18H27NO4/c1-7-13(20)12-9-8-10-14(22-6)15(12)16(21)19-17(2,3)11-23-18(19,4)5/h8-10,13,20H,7,11H2,1-6H3
InChIKeyCZFIJLJHYKFSCX-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.13
Rot. Bonds4

About [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone

[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 11359144) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID11359144
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
SMILESCCC(O)c1cccc(OC)c1C(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C18H27NO4/c1-7-13(20)12-9-8-10-14(22-6)15(12)16(21)19-17(2,3)11-23-18(19,4)5/h8-10,13,20H,7,11H2,1-6H3
InChIKeyCZFIJLJHYKFSCX-UHFFFAOYSA-N
XLogP3.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone with MolForge

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Related Compounds

[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
CID 101181361
[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134905351
(2,6-dimethoxyphenyl)-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740794
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 112507460
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110797926
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110818045
3-amino-1-(2,6-dimethoxyphenyl)pentan-1-one
CID 116811619

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone (CID 11359144) is [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone is CCC(O)c1cccc(OC)c1C(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is CZFIJLJHYKFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-7-13(20)12-9-8-10-14(22-6)15(12)16(21)19-17(2,3)11-23-18(19,4)5/h8-10,13,20H,7,11H2,1-6H3.
What are the key properties of [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 11359144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).