[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone

C18H27NO3 — CID 118195560

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCO[C@H](C)C2)cc(C(C)C)c1O
InChIInChI=1S/C18H27NO3/c1-11(2)15-8-14(9-16(12(3)4)17(15)20)18(21)19-6-7-22-13(5)10-19/h8-9,11-13,20H,6-7,10H2,1-5H3/t13-/m1/s1
InChIKeyVXWCEFDYQGTMKE-CYBMUJFWSA-N
MW305.42 g/mol
LogP3.50
Rot. Bonds3

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 118195560) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID118195560
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCO[C@H](C)C2)cc(C(C)C)c1O
InChIInChI=1S/C18H27NO3/c1-11(2)15-8-14(9-16(12(3)4)17(15)20)18(21)19-6-7-22-13(5)10-19/h8-9,11-13,20H,6-7,10H2,1-5H3/t13-/m1/s1
InChIKeyVXWCEFDYQGTMKE-CYBMUJFWSA-N
XLogP3.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone (CID 118195560) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone is CC(C)c1cc(C(=O)N2CCO[C@H](C)C2)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is VXWCEFDYQGTMKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27NO3/c1-11(2)15-8-14(9-16(12(3)4)17(15)20)18(21)19-6-7-22-13(5)10-19/h8-9,11-13,20H,6-7,10H2,1-5H3/t13-/m1/s1.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 118195560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).