[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol

C18H27NO3 — CID 155992738

IUPAC[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
SMILESCc1ccccc1CC1(CO)CN(C2CCOCC2)CCO1
InChIInChI=1S/C18H27NO3/c1-15-4-2-3-5-16(15)12-18(14-20)13-19(8-11-22-18)17-6-9-21-10-7-17/h2-5,17,20H,6-14H2,1H3
InChIKeyTVRGIDSCXKYVHO-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.78
Rot. Bonds4

About [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol

[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol (PubChem CID 155992738) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
PubChem CID155992738
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
SMILESCc1ccccc1CC1(CO)CN(C2CCOCC2)CCO1
InChIInChI=1S/C18H27NO3/c1-15-4-2-3-5-16(15)12-18(14-20)13-19(8-11-22-18)17-6-9-21-10-7-17/h2-5,17,20H,6-14H2,1H3
InChIKeyTVRGIDSCXKYVHO-UHFFFAOYSA-N
XLogP1.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol
CID 155992732
1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 132765108
1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 132765075
1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132764590
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
[2-[(2-fluorophenyl)methyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 132764204
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
4-[(4aR,6R,8aS)-8a-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 56890516
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol?
The IUPAC name of [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol (CID 155992738) is [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol?
The canonical SMILES for [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol is Cc1ccccc1CC1(CO)CN(C2CCOCC2)CCO1.
What is the InChIKey of [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol?
The InChIKey is TVRGIDSCXKYVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-15-4-2-3-5-16(15)12-18(14-20)13-19(8-11-22-18)17-6-9-21-10-7-17/h2-5,17,20H,6-14H2,1H3.
What are the key properties of [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol?
[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 155992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).