1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol

C26H28FNO3 — CID 138958979

IUPAC1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)CN1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C26H28FNO3/c27-23-13-7-12-22(16-23)25-18-28(14-15-30-25)17-24(29)19-31-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,16,24-26,29H,14-15,17-19H2
InChIKeyDWRVFTNTRVQWRV-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.37
Rot. Bonds8

About 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol

1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol (PubChem CID 138958979) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
PubChem CID138958979
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC Name1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)CN1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C26H28FNO3/c27-23-13-7-12-22(16-23)25-18-28(14-15-30-25)17-24(29)19-31-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,16,24-26,29H,14-15,17-19H2
InChIKeyDWRVFTNTRVQWRV-UHFFFAOYSA-N
XLogP4.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138959001
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
CID 138960683
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol (CID 138958979) is 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol is OC(COC(c1ccccc1)c1ccccc1)CN1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
The InChIKey is DWRVFTNTRVQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3/c27-23-13-7-12-22(16-23)25-18-28(14-15-30-25)17-24(29)19-31-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,16,24-26,29H,14-15,17-19H2.
What are the key properties of 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol has a molecular weight of 421.51 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 138958979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).