2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol

C13H18O2 — CID 114714846

IUPAC2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCC(C)C1CC(O)c2ccccc2O1
InChIInChI=1S/C13H18O2/c1-3-9(2)13-8-11(14)10-6-4-5-7-12(10)15-13/h4-7,9,11,13-14H,3,8H2,1-2H3
InChIKeyUODVZKXYWVTABE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.92
Rot. Bonds2

About 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol

2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714846) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714846
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCC(C)C1CC(O)c2ccccc2O1
InChIInChI=1S/C13H18O2/c1-3-9(2)13-8-11(14)10-6-4-5-7-12(10)15-13/h4-7,9,11,13-14H,3,8H2,1-2H3
InChIKeyUODVZKXYWVTABE-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 114714846) is 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol is CCC(C)C1CC(O)c2ccccc2O1.
What is the InChIKey of 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UODVZKXYWVTABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-9(2)13-8-11(14)10-6-4-5-7-12(10)15-13/h4-7,9,11,13-14H,3,8H2,1-2H3.
What are the key properties of 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol?
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 206.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).