[(3R)-3-phenylpentyl] methanesulfonate

C12H18O3S — CID 58431268

IUPAC[(3R)-3-phenylpentyl] methanesulfonate
SMILESCC[C@H](CCOS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-3-11(9-10-15-16(2,13)14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyBZODIWWYNPQLLA-LLVKDONJSA-N
MW242.34 g/mol
LogP2.55
Rot. Bonds6

About [(3R)-3-phenylpentyl] methanesulfonate

[(3R)-3-phenylpentyl] methanesulfonate (PubChem CID 58431268) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is [(3R)-3-phenylpentyl] methanesulfonate.

Molecular Properties

Compound Name[(3R)-3-phenylpentyl] methanesulfonate
PubChem CID58431268
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name[(3R)-3-phenylpentyl] methanesulfonate
SMILESCC[C@H](CCOS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-3-11(9-10-15-16(2,13)14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyBZODIWWYNPQLLA-LLVKDONJSA-N
XLogP2.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(3R)-3-phenylpentyl] methanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

3,4-diphenylbutyl methanesulfonate
CID 10063639
[3-(4-methylphenyl)-5-methylsulfonyloxypentyl] methanesulfonate
CID 53387275
[3-phenyl-3-(4-phenylphenyl)propyl] methanesulfonate
CID 18432024
[(3S)-3-benzhydryloxy-4-methylsulfonyloxybutyl] methanesulfonate
CID 11037362
azane;pentan-3-ylbenzene
CID 19774895
propan-2-yl 4-phenylhexanoate
CID 144552078
[(5R,7S)-3-methylsulfonyloxy-7-naphthalen-2-yl-5-phenyloctyl] methanesulfonate
CID 166437804
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl] methanesulfonate
CID 142685942
octan-3-ylbenzene
CID 519547
heptan-3-ylbenzene;methane
CID 159006232
3-phenylpentyl 2-methylbenzoate
CID 139831989

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenylpentyl] methanesulfonate?
The IUPAC name of [(3R)-3-phenylpentyl] methanesulfonate (CID 58431268) is [(3R)-3-phenylpentyl] methanesulfonate.
What is the SMILES notation for [(3R)-3-phenylpentyl] methanesulfonate?
The canonical SMILES for [(3R)-3-phenylpentyl] methanesulfonate is CC[C@H](CCOS(C)(=O)=O)c1ccccc1.
What is the InChIKey of [(3R)-3-phenylpentyl] methanesulfonate?
The InChIKey is BZODIWWYNPQLLA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O3S/c1-3-11(9-10-15-16(2,13)14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3R)-3-phenylpentyl] methanesulfonate?
[(3R)-3-phenylpentyl] methanesulfonate has a molecular weight of 242.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-phenylpentyl] methanesulfonate is sourced from PubChem (CID 58431268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).