1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol

C20H25NO3 — CID 23605688

IUPAC1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCOc1ccc(C(O)(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-23-19-9-7-18(8-10-19)20(22,17-5-3-2-4-6-17)11-12-21-13-15-24-16-14-21/h2-10,22H,11-16H2,1H3
InChIKeyHIXITYNFFXCAKX-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol

1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (PubChem CID 23605688) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
PubChem CID23605688
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCOc1ccc(C(O)(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-23-19-9-7-18(8-10-19)20(22,17-5-3-2-4-6-17)11-12-21-13-15-24-16-14-21/h2-10,22H,11-16H2,1H3
InChIKeyHIXITYNFFXCAKX-UHFFFAOYSA-N
XLogP2.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (CID 23605688) is 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is COc1ccc(C(O)(CCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The InChIKey is HIXITYNFFXCAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-19-9-7-18(8-10-19)20(22,17-5-3-2-4-6-17)11-12-21-13-15-24-16-14-21/h2-10,22H,11-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 23605688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).