[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone

C15H21NO4 — CID 124737173

IUPAC[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone
SMILESCOC[C@H]1CN(C(=O)c2ccc(C)c(CO)c2)CCO1
InChIInChI=1S/C15H21NO4/c1-11-3-4-12(7-13(11)9-17)15(18)16-5-6-20-14(8-16)10-19-2/h3-4,7,14,17H,5-6,8-10H2,1-2H3/t14-/m1/s1
InChIKeyPPNUELLXLVGVBF-CQSZACIVSA-N
MW279.34 g/mol
LogP0.97
Rot. Bonds4

About [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone

[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone (PubChem CID 124737173) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone
PubChem CID124737173
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone
SMILESCOC[C@H]1CN(C(=O)c2ccc(C)c(CO)c2)CCO1
InChIInChI=1S/C15H21NO4/c1-11-3-4-12(7-13(11)9-17)15(18)16-5-6-20-14(8-16)10-19-2/h3-4,7,14,17H,5-6,8-10H2,1-2H3/t14-/m1/s1
InChIKeyPPNUELLXLVGVBF-CQSZACIVSA-N
XLogP0.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone (CID 124737173) is [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone is COC[C@H]1CN(C(=O)c2ccc(C)c(CO)c2)CCO1.
What is the InChIKey of [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone?
The InChIKey is PPNUELLXLVGVBF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-3-4-12(7-13(11)9-17)15(18)16-5-6-20-14(8-16)10-19-2/h3-4,7,14,17H,5-6,8-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone?
[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124737173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).