(4-propylmorpholin-2-yl)-(3-propylphenyl)methanol

C17H27NO2 — CID 116543720

IUPAC(4-propylmorpholin-2-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)C2CN(CCC)CCO2)c1
InChIInChI=1S/C17H27NO2/c1-3-6-14-7-5-8-15(12-14)17(19)16-13-18(9-4-2)10-11-20-16/h5,7-8,12,16-17,19H,3-4,6,9-11,13H2,1-2H3
InChIKeyJRVPIRWBQBNTJD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol

(4-propylmorpholin-2-yl)-(3-propylphenyl)methanol (PubChem CID 116543720) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(4-propylmorpholin-2-yl)-(3-propylphenyl)methanol
PubChem CID116543720
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(4-propylmorpholin-2-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)C2CN(CCC)CCO2)c1
InChIInChI=1S/C17H27NO2/c1-3-6-14-7-5-8-15(12-14)17(19)16-13-18(9-4-2)10-11-20-16/h5,7-8,12,16-17,19H,3-4,6,9-11,13H2,1-2H3
InChIKeyJRVPIRWBQBNTJD-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol?
The IUPAC name of (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol (CID 116543720) is (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol.
What is the SMILES notation for (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol?
The canonical SMILES for (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)C2CN(CCC)CCO2)c1.
What is the InChIKey of (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol?
The InChIKey is JRVPIRWBQBNTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-6-14-7-5-8-15(12-14)17(19)16-13-18(9-4-2)10-11-20-16/h5,7-8,12,16-17,19H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol?
(4-propylmorpholin-2-yl)-(3-propylphenyl)methanol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylmorpholin-2-yl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116543720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).