2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid

C24H20O5S — CID 86743112

IUPAC2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O2.C10H8O3S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-10,13,15H;1-7H,(H,11,12,13)
InChIKeyQYEMVIHQPLBKFJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.69
Rot. Bonds4

About 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid

2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid (PubChem CID 86743112) has the molecular formula C24H20O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
PubChem CID86743112
Molecular FormulaC24H20O5S
Molecular Weight420.49 g/mol
Exact Mass420.10
IUPAC Name2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O2.C10H8O3S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-10,13,15H;1-7H,(H,11,12,13)
InChIKeyQYEMVIHQPLBKFJ-UHFFFAOYSA-N
XLogP4.69
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2-sulfonic acid
CID 8420
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
2-hydroxy-1,2-diphenylethanone
CID 159399559
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
tetracene-2-sulfonic acid
CID 21483873
2-hydroxy-1,2-diphenylethanone;4-methylbenzene-1,2-disulfonic acid
CID 174887024
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid (CID 86743112) is 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid is O=C(c1ccccc1)C(O)c1ccccc1.O=S(=O)(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid?
The InChIKey is QYEMVIHQPLBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C10H8O3S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-10,13,15H;1-7H,(H,11,12,13).
What are the key properties of 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid?
2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid has a molecular weight of 420.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid is sourced from PubChem (CID 86743112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).