2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol

C14H18O4 — CID 142380263

IUPAC2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
SMILESOc1ccc2c(c1)C(O)CC(C1CCOCC1)O2
InChIInChI=1S/C14H18O4/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14-16H,3-6,8H2
InChIKeyAWEDKQZHUPZGCK-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.00
Rot. Bonds1

About 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol

2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol (PubChem CID 142380263) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol.

Molecular Properties

Compound Name2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
PubChem CID142380263
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
SMILESOc1ccc2c(c1)C(O)CC(C1CCOCC1)O2
InChIInChI=1S/C14H18O4/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14-16H,3-6,8H2
InChIKeyAWEDKQZHUPZGCK-UHFFFAOYSA-N
XLogP2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol?
The IUPAC name of 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol (CID 142380263) is 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol.
What is the SMILES notation for 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol?
The canonical SMILES for 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol is Oc1ccc2c(c1)C(O)CC(C1CCOCC1)O2.
What is the InChIKey of 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol?
The InChIKey is AWEDKQZHUPZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14-16H,3-6,8H2.
What are the key properties of 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol?
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol has a molecular weight of 250.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol is sourced from PubChem (CID 142380263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).