trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol

C15H23O3P — CID 101016675

IUPACtrans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol
SMILESCC(C)OP(=O)(CC[C@@]1(O)C[C@H]1C)c1ccccc1
InChIInChI=1S/C15H23O3P/c1-12(2)18-19(17,14-7-5-4-6-8-14)10-9-15(16)11-13(15)3/h4-8,12-13,16H,9-11H2,1-3H3/t13-,15-,19?/m1/s1
InChIKeyNSEGXPFFAPVVRT-PIAVTGDYSA-N
MW282.32 g/mol
LogP3.18
Rot. Bonds6

About trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol

trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol (PubChem CID 101016675) has the molecular formula C15H23O3P and a molecular weight of 282.32 g/mol. Its IUPAC name is trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol
PubChem CID101016675
Molecular FormulaC15H23O3P
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Nametrans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol
SMILESCC(C)OP(=O)(CC[C@@]1(O)C[C@H]1C)c1ccccc1
InChIInChI=1S/C15H23O3P/c1-12(2)18-19(17,14-7-5-4-6-8-14)10-9-15(16)11-13(15)3/h4-8,12-13,16H,9-11H2,1-3H3/t13-,15-,19?/m1/s1
InChIKeyNSEGXPFFAPVVRT-PIAVTGDYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol?
The IUPAC name of trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol (CID 101016675) is trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol is CC(C)OP(=O)(CC[C@@]1(O)C[C@H]1C)c1ccccc1.
What is the InChIKey of trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol?
The InChIKey is NSEGXPFFAPVVRT-PIAVTGDYSA-N. The full InChI is InChI=1S/C15H23O3P/c1-12(2)18-19(17,14-7-5-4-6-8-14)10-9-15(16)11-13(15)3/h4-8,12-13,16H,9-11H2,1-3H3/t13-,15-,19?/m1/s1.
What are the key properties of trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol?
trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol has a molecular weight of 282.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-methyl-1-[2-[phenyl(propan-2-yloxy)phosphoryl]ethyl]cyclopropan-1-ol is sourced from PubChem (CID 101016675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).