benzene;benzenesulfonic acid;naphthalen-2-ol

C22H20O4S — CID 88766318

IUPACbenzene;benzenesulfonic acid;naphthalen-2-ol
SMILESO=S(=O)(O)c1ccccc1.Oc1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8O.C6H6O3S.C6H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-7,11H;1-5H,(H,7,8,9);1-6H
InChIKeyMYOACRDIGNSHMB-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.17
Rot. Bonds1

About benzene;benzenesulfonic acid;naphthalen-2-ol

benzene;benzenesulfonic acid;naphthalen-2-ol (PubChem CID 88766318) has the molecular formula C22H20O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is benzene;benzenesulfonic acid;naphthalen-2-ol.

Molecular Properties

Compound Namebenzene;benzenesulfonic acid;naphthalen-2-ol
PubChem CID88766318
Molecular FormulaC22H20O4S
Molecular Weight380.47 g/mol
Exact Mass380.11
IUPAC Namebenzene;benzenesulfonic acid;naphthalen-2-ol
SMILESO=S(=O)(O)c1ccccc1.Oc1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8O.C6H6O3S.C6H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-7,11H;1-5H,(H,7,8,9);1-6H
InChIKeyMYOACRDIGNSHMB-UHFFFAOYSA-N
XLogP5.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;benzenesulfonic acid;naphthalen-2-ol?
The IUPAC name of benzene;benzenesulfonic acid;naphthalen-2-ol (CID 88766318) is benzene;benzenesulfonic acid;naphthalen-2-ol.
What is the SMILES notation for benzene;benzenesulfonic acid;naphthalen-2-ol?
The canonical SMILES for benzene;benzenesulfonic acid;naphthalen-2-ol is O=S(=O)(O)c1ccccc1.Oc1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;benzenesulfonic acid;naphthalen-2-ol?
The InChIKey is MYOACRDIGNSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H6O3S.C6H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-7,11H;1-5H,(H,7,8,9);1-6H.
What are the key properties of benzene;benzenesulfonic acid;naphthalen-2-ol?
benzene;benzenesulfonic acid;naphthalen-2-ol has a molecular weight of 380.47 g/mol, XLogP of 5.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzenesulfonic acid;naphthalen-2-ol is sourced from PubChem (CID 88766318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).