[5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate

C16H18O7 — CID 70577844

IUPAC[5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate
SMILESCCCc1ccc(OCC(C)O)c2c(=O)cc(OC(=O)O)oc12
InChIInChI=1S/C16H18O7/c1-3-4-10-5-6-12(21-8-9(2)17)14-11(18)7-13(22-15(10)14)23-16(19)20/h5-7,9,17H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyNZYRCYCNTXAMIR-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.56
Rot. Bonds6

About [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate

[5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate (PubChem CID 70577844) has the molecular formula C16H18O7 and a molecular weight of 322.31 g/mol. Its IUPAC name is [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate
PubChem CID70577844
Molecular FormulaC16H18O7
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name[5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate
SMILESCCCc1ccc(OCC(C)O)c2c(=O)cc(OC(=O)O)oc12
InChIInChI=1S/C16H18O7/c1-3-4-10-5-6-12(21-8-9(2)17)14-11(18)7-13(22-15(10)14)23-16(19)20/h5-7,9,17H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyNZYRCYCNTXAMIR-UHFFFAOYSA-N
XLogP2.56
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate?
The IUPAC name of [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate (CID 70577844) is [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate?
The canonical SMILES for [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate is CCCc1ccc(OCC(C)O)c2c(=O)cc(OC(=O)O)oc12.
What is the InChIKey of [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate?
The InChIKey is NZYRCYCNTXAMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O7/c1-3-4-10-5-6-12(21-8-9(2)17)14-11(18)7-13(22-15(10)14)23-16(19)20/h5-7,9,17H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate?
[5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate has a molecular weight of 322.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxypropoxy)-4-oxo-8-propylchromen-2-yl] hydrogen carbonate is sourced from PubChem (CID 70577844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).