formaldehyde;phenanthrene-1-sulfonic acid

C15H12O4S — CID 159142763

IUPACformaldehyde;phenanthrene-1-sulfonic acid
SMILESC=O.O=S(=O)(O)c1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H10O3S.CH2O/c15-18(16,17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;1-2/h1-9H,(H,15,16,17);1H2
InChIKeyKIHJPSBTNAGYCK-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.05
Rot. Bonds1

About formaldehyde;phenanthrene-1-sulfonic acid

formaldehyde;phenanthrene-1-sulfonic acid (PubChem CID 159142763) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is formaldehyde;phenanthrene-1-sulfonic acid.

Molecular Properties

Compound Nameformaldehyde;phenanthrene-1-sulfonic acid
PubChem CID159142763
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Nameformaldehyde;phenanthrene-1-sulfonic acid
SMILESC=O.O=S(=O)(O)c1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H10O3S.CH2O/c15-18(16,17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;1-2/h1-9H,(H,15,16,17);1H2
InChIKeyKIHJPSBTNAGYCK-UHFFFAOYSA-N
XLogP3.05
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 172685149
CID 172685149
magnesium;hydride;phenanthrene-1-sulfonic acid
CID 174836310
CID 87599032
CID 87599032
naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
methanamine;naphthalene-1-sulfonic acid
CID 174421353
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218

Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenanthrene-1-sulfonic acid?
The IUPAC name of formaldehyde;phenanthrene-1-sulfonic acid (CID 159142763) is formaldehyde;phenanthrene-1-sulfonic acid.
What is the SMILES notation for formaldehyde;phenanthrene-1-sulfonic acid?
The canonical SMILES for formaldehyde;phenanthrene-1-sulfonic acid is C=O.O=S(=O)(O)c1cccc2c1ccc1ccccc12.
What is the InChIKey of formaldehyde;phenanthrene-1-sulfonic acid?
The InChIKey is KIHJPSBTNAGYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S.CH2O/c15-18(16,17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;1-2/h1-9H,(H,15,16,17);1H2.
What are the key properties of formaldehyde;phenanthrene-1-sulfonic acid?
formaldehyde;phenanthrene-1-sulfonic acid has a molecular weight of 288.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenanthrene-1-sulfonic acid is sourced from PubChem (CID 159142763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).