6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid

C16H14O6S — CID 19815622

IUPAC6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid
SMILESO=CC1=Cc2cc(Oc3ccccc3)ccc2OC1.O=S(O)O
InChIInChI=1S/C16H12O3.H2O3S/c17-10-12-8-13-9-15(6-7-16(13)18-11-12)19-14-4-2-1-3-5-14;1-4(2)3/h1-10H,11H2;(H2,1,2,3)
InChIKeyMCKZMICNYALURV-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.13
Rot. Bonds3

About 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid

6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid (PubChem CID 19815622) has the molecular formula C16H14O6S and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid.

Molecular Properties

Compound Name6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid
PubChem CID19815622
Molecular FormulaC16H14O6S
Molecular Weight334.35 g/mol
Exact Mass334.05
IUPAC Name6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid
SMILESO=CC1=Cc2cc(Oc3ccccc3)ccc2OC1.O=S(O)O
InChIInChI=1S/C16H12O3.H2O3S/c17-10-12-8-13-9-15(6-7-16(13)18-11-12)19-14-4-2-1-3-5-14;1-4(2)3/h1-10H,11H2;(H2,1,2,3)
InChIKeyMCKZMICNYALURV-UHFFFAOYSA-N
XLogP3.13
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-phenoxy-2H-chromen-3-yl)ethanone
CID 14971313
2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde
CID 14971304
(3-formyl-2H-chromen-7-yl) methanesulfonate
CID 58439077
(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine
CID 10705261
N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine
CID 14971276
3H-2-benzofuran-1-one;phenoxybenzene
CID 19981145
2,4-diphenoxybenzaldehyde
CID 87301631
7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde
CID 58439114
4-[3-(4-sulfinophenoxy)phenoxy]benzenesulfinic acid
CID 59847587
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
2-chloro-5-phenoxybenzaldehyde
CID 131420183
2-formyl-N-methyl-4-phenoxybenzamide
CID 141490804

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid?
The IUPAC name of 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid (CID 19815622) is 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid.
What is the SMILES notation for 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid?
The canonical SMILES for 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid is O=CC1=Cc2cc(Oc3ccccc3)ccc2OC1.O=S(O)O.
What is the InChIKey of 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid?
The InChIKey is MCKZMICNYALURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3.H2O3S/c17-10-12-8-13-9-15(6-7-16(13)18-11-12)19-14-4-2-1-3-5-14;1-4(2)3/h1-10H,11H2;(H2,1,2,3).
What are the key properties of 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid?
6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid has a molecular weight of 334.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid is sourced from PubChem (CID 19815622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).