[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate

C14H20O5S — CID 86586482

IUPAC[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate
SMILESCC(C)Oc1cccc2c1O[C@@H](COS(C)(=O)=O)CC2
InChIInChI=1S/C14H20O5S/c1-10(2)18-13-6-4-5-11-7-8-12(19-14(11)13)9-17-20(3,15)16/h4-6,10,12H,7-9H2,1-3H3/t12-/m1/s1
InChIKeySXOVDPLNZCMPDY-GFCCVEGCSA-N
MW300.38 g/mol
LogP2.14
Rot. Bonds5

About [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate

[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate (PubChem CID 86586482) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate
PubChem CID86586482
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Name[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate
SMILESCC(C)Oc1cccc2c1O[C@@H](COS(C)(=O)=O)CC2
InChIInChI=1S/C14H20O5S/c1-10(2)18-13-6-4-5-11-7-8-12(19-14(11)13)9-17-20(3,15)16/h4-6,10,12H,7-9H2,1-3H3/t12-/m1/s1
InChIKeySXOVDPLNZCMPDY-GFCCVEGCSA-N
XLogP2.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate 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 [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate (CID 86586482) is [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate is CC(C)Oc1cccc2c1O[C@@H](COS(C)(=O)=O)CC2.
What is the InChIKey of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate?
The InChIKey is SXOVDPLNZCMPDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O5S/c1-10(2)18-13-6-4-5-11-7-8-12(19-14(11)13)9-17-20(3,15)16/h4-6,10,12H,7-9H2,1-3H3/t12-/m1/s1.
What are the key properties of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate?
[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate has a molecular weight of 300.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate is sourced from PubChem (CID 86586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).