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

C26H27F2NO3 — CID 138959078

IUPAC1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)CN1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C26H27F2NO3/c27-23-12-11-21(15-24(23)28)25-17-29(13-14-31-25)16-22(30)18-32-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,22,25-26,30H,13-14,16-18H2
InChIKeyRSPASKUPBGPRCR-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.51
Rot. Bonds8

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

1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol (PubChem CID 138959078) has the molecular formula C26H27F2NO3 and a molecular weight of 439.50 g/mol. Its IUPAC name is 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
PubChem CID138959078
Molecular FormulaC26H27F2NO3
Molecular Weight439.50 g/mol
Exact Mass439.20
IUPAC Name1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)CN1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C26H27F2NO3/c27-23-12-11-21(15-24(23)28)25-17-29(13-14-31-25)16-22(30)18-32-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,22,25-26,30H,13-14,16-18H2
InChIKeyRSPASKUPBGPRCR-UHFFFAOYSA-N
XLogP4.51
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958979
1-cyclohexyloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959087
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138959001
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959090
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
CID 138960683
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
CID 142767961

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol (CID 138959078) is 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol is OC(COC(c1ccccc1)c1ccccc1)CN1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol?
The InChIKey is RSPASKUPBGPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO3/c27-23-12-11-21(15-24(23)28)25-17-29(13-14-31-25)16-22(30)18-32-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,22,25-26,30H,13-14,16-18H2.
What are the key properties of 1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol?
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol has a molecular weight of 439.50 g/mol, XLogP of 4.51, 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-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 138959078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).