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

C13H18O3 — CID 59922596

IUPAC[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESCC(C)Oc1cccc2c1O[C@@H](CO)CC2
InChIInChI=1S/C13H18O3/c1-9(2)15-12-5-3-4-10-6-7-11(8-14)16-13(10)12/h3-5,9,11,14H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyPXHWXCLHOSJCHR-LLVKDONJSA-N
MW222.28 g/mol
LogP2.16
Rot. Bonds3

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

[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol (PubChem CID 59922596) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol
PubChem CID59922596
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESCC(C)Oc1cccc2c1O[C@@H](CO)CC2
InChIInChI=1S/C13H18O3/c1-9(2)15-12-5-3-4-10-6-7-11(8-14)16-13(10)12/h3-5,9,11,14H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyPXHWXCLHOSJCHR-LLVKDONJSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol?
The IUPAC name of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol (CID 59922596) is [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol.
What is the SMILES notation for [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol?
The canonical SMILES for [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol is CC(C)Oc1cccc2c1O[C@@H](CO)CC2.
What is the InChIKey of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol?
The InChIKey is PXHWXCLHOSJCHR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)15-12-5-3-4-10-6-7-11(8-14)16-13(10)12/h3-5,9,11,14H,6-8H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol?
[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol is sourced from PubChem (CID 59922596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).