ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane

C23H36O3 — CID 142956929

IUPACethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
SMILESCC.CC.CC(C)C.Oc1ccc([C@H]2CCc3cc(O)ccc3O2)cc1
InChIInChI=1S/C15H14O3.C4H10.2C2H6/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14;1-4(2)3;2*1-2/h1-2,4-6,8-9,14,16-17H,3,7H2;4H,1-3H3;2*1-2H3/t14-;;;/m1.../s1
InChIKeyQHSGNJOWSTTWTI-XJCLVHIMSA-N
MW360.54 g/mol
LogP6.88
Rot. Bonds1

About ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane

ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane (PubChem CID 142956929) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane.

Molecular Properties

Compound Nameethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
PubChem CID142956929
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Nameethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
SMILESCC.CC.CC(C)C.Oc1ccc([C@H]2CCc3cc(O)ccc3O2)cc1
InChIInChI=1S/C15H14O3.C4H10.2C2H6/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14;1-4(2)3;2*1-2/h1-2,4-6,8-9,14,16-17H,3,7H2;4H,1-3H3;2*1-2H3/t14-;;;/m1.../s1
InChIKeyQHSGNJOWSTTWTI-XJCLVHIMSA-N
XLogP6.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane?
The IUPAC name of ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane (CID 142956929) is ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane.
What is the SMILES notation for ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane?
The canonical SMILES for ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane is CC.CC.CC(C)C.Oc1ccc([C@H]2CCc3cc(O)ccc3O2)cc1.
What is the InChIKey of ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane?
The InChIKey is QHSGNJOWSTTWTI-XJCLVHIMSA-N. The full InChI is InChI=1S/C15H14O3.C4H10.2C2H6/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14;1-4(2)3;2*1-2/h1-2,4-6,8-9,14,16-17H,3,7H2;4H,1-3H3;2*1-2H3/t14-;;;/m1.../s1.
What are the key properties of ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane?
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane has a molecular weight of 360.54 g/mol, XLogP of 6.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane is sourced from PubChem (CID 142956929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).