2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol

C23H30FNO3 — CID 59789302

IUPAC2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
SMILESCOc1ccc(F)cc1CC(O)(C(C)C)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H30FNO3/c1-17(2)23(26,14-19-13-20(24)9-10-21(19)27-3)22-16-25(11-12-28-22)15-18-7-5-4-6-8-18/h4-10,13,17,22,26H,11-12,14-16H2,1-3H3
InChIKeyQFYJYWIJJNXAQV-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.66
Rot. Bonds7

About 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol

2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol (PubChem CID 59789302) has the molecular formula C23H30FNO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
PubChem CID59789302
Molecular FormulaC23H30FNO3
Molecular Weight387.50 g/mol
Exact Mass387.22
IUPAC Name2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
SMILESCOc1ccc(F)cc1CC(O)(C(C)C)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H30FNO3/c1-17(2)23(26,14-19-13-20(24)9-10-21(19)27-3)22-16-25(11-12-28-22)15-18-7-5-4-6-8-18/h4-10,13,17,22,26H,11-12,14-16H2,1-3H3
InChIKeyQFYJYWIJJNXAQV-UHFFFAOYSA-N
XLogP3.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol (CID 59789302) is 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol is COc1ccc(F)cc1CC(O)(C(C)C)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol?
The InChIKey is QFYJYWIJJNXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3/c1-17(2)23(26,14-19-13-20(24)9-10-21(19)27-3)22-16-25(11-12-28-22)15-18-7-5-4-6-8-18/h4-10,13,17,22,26H,11-12,14-16H2,1-3H3.
What are the key properties of 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol?
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol has a molecular weight of 387.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 59789302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).