2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol

C16H15NO5 — CID 90987389

IUPAC2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol
SMILESCc1cc(O)c2c(c1)OC(c1ccc(O)c(N=O)c1)C(O)C2
InChIInChI=1S/C16H15NO5/c1-8-4-13(19)10-7-14(20)16(22-15(10)5-8)9-2-3-12(18)11(6-9)17-21/h2-6,14,16,18-20H,7H2,1H3
InChIKeyISAKSGHBGNWWHM-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol

2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol (PubChem CID 90987389) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol.

Molecular Properties

Compound Name2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol
PubChem CID90987389
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol
SMILESCc1cc(O)c2c(c1)OC(c1ccc(O)c(N=O)c1)C(O)C2
InChIInChI=1S/C16H15NO5/c1-8-4-13(19)10-7-14(20)16(22-15(10)5-8)9-2-3-12(18)11(6-9)17-21/h2-6,14,16,18-20H,7H2,1H3
InChIKeyISAKSGHBGNWWHM-UHFFFAOYSA-N
XLogP2.84
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol?
The IUPAC name of 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol (CID 90987389) is 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol.
What is the SMILES notation for 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol?
The canonical SMILES for 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol is Cc1cc(O)c2c(c1)OC(c1ccc(O)c(N=O)c1)C(O)C2.
What is the InChIKey of 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol?
The InChIKey is ISAKSGHBGNWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-8-4-13(19)10-7-14(20)16(22-15(10)5-8)9-2-3-12(18)11(6-9)17-21/h2-6,14,16,18-20H,7H2,1H3.
What are the key properties of 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol?
2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol has a molecular weight of 301.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-nitrosophenyl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol is sourced from PubChem (CID 90987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).