(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone

C16H23NO3 — CID 99627905

IUPAC(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
SMILESCc1cc(O)ccc1C(=O)N1CCOC[C@@H]1CC(C)C
InChIInChI=1S/C16H23NO3/c1-11(2)8-13-10-20-7-6-17(13)16(19)15-5-4-14(18)9-12(15)3/h4-5,9,11,13,18H,6-8,10H2,1-3H3/t13-/m0/s1
InChIKeyJLNWDTNZIKIBNA-ZDUSSCGKSA-N
MW277.36 g/mol
LogP2.59
Rot. Bonds3

About (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone

(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone (PubChem CID 99627905) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
PubChem CID99627905
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
SMILESCc1cc(O)ccc1C(=O)N1CCOC[C@@H]1CC(C)C
InChIInChI=1S/C16H23NO3/c1-11(2)8-13-10-20-7-6-17(13)16(19)15-5-4-14(18)9-12(15)3/h4-5,9,11,13,18H,6-8,10H2,1-3H3/t13-/m0/s1
InChIKeyJLNWDTNZIKIBNA-ZDUSSCGKSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673392
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 124516293
[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673227
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
The IUPAC name of (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone (CID 99627905) is (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone is Cc1cc(O)ccc1C(=O)N1CCOC[C@@H]1CC(C)C.
What is the InChIKey of (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
The InChIKey is JLNWDTNZIKIBNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)8-13-10-20-7-6-17(13)16(19)15-5-4-14(18)9-12(15)3/h4-5,9,11,13,18H,6-8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone has a molecular weight of 277.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 99627905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).