(2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol

C15H20O3 — CID 10705699

IUPAC(2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
SMILESC=C[C@H]1C[C@H](C(C)(C)O)Oc2cc(C)c(O)cc21
InChIInChI=1S/C15H20O3/c1-5-10-7-14(15(3,4)17)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3/t10-,14+/m0/s1
InChIKeyUSPLMZMYYNDHOT-IINYFYTJSA-N
MW248.32 g/mol
LogP2.89
Rot. Bonds2

About (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol

(2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 10705699) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
PubChem CID10705699
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
SMILESC=C[C@H]1C[C@H](C(C)(C)O)Oc2cc(C)c(O)cc21
InChIInChI=1S/C15H20O3/c1-5-10-7-14(15(3,4)17)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3/t10-,14+/m0/s1
InChIKeyUSPLMZMYYNDHOT-IINYFYTJSA-N
XLogP2.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol (CID 10705699) is (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol is C=C[C@H]1C[C@H](C(C)(C)O)Oc2cc(C)c(O)cc21.
What is the InChIKey of (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is USPLMZMYYNDHOT-IINYFYTJSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-10-7-14(15(3,4)17)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3/t10-,14+/m0/s1.
What are the key properties of (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol?
(2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 248.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 10705699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).