1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone

C19H27NO4 — CID 95445095

IUPAC1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
SMILESO=C(COc1ccccc1O)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C19H27NO4/c21-17-8-4-5-9-18(17)24-14-19(22)20-10-11-23-16(13-20)12-15-6-2-1-3-7-15/h4-5,8-9,15-16,21H,1-3,6-7,10-14H2/t16-/m1/s1
InChIKeyYMTDAADFDUGWDG-MRXNPFEDSA-N
MW333.43 g/mol
LogP2.97
Rot. Bonds5

About 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone

1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone (PubChem CID 95445095) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
PubChem CID95445095
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
SMILESO=C(COc1ccccc1O)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C19H27NO4/c21-17-8-4-5-9-18(17)24-14-19(22)20-10-11-23-16(13-20)12-15-6-2-1-3-7-15/h4-5,8-9,15-16,21H,1-3,6-7,10-14H2/t16-/m1/s1
InChIKeyYMTDAADFDUGWDG-MRXNPFEDSA-N
XLogP2.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991
1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 45207278
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 81196263
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95556090
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 70724052
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737
(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
CID 56873611

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone?
The IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone (CID 95445095) is 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone.
What is the SMILES notation for 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone?
The canonical SMILES for 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone is O=C(COc1ccccc1O)N1CCO[C@H](CC2CCCCC2)C1.
What is the InChIKey of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone?
The InChIKey is YMTDAADFDUGWDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO4/c21-17-8-4-5-9-18(17)24-14-19(22)20-10-11-23-16(13-20)12-15-6-2-1-3-7-15/h4-5,8-9,15-16,21H,1-3,6-7,10-14H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone?
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone has a molecular weight of 333.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone is sourced from PubChem (CID 95445095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).