(7-hydroxynaphthalen-2-yl)methanesulfonic acid

C11H10O4S — CID 175033542

IUPAC(7-hydroxynaphthalen-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C11H10O4S/c12-11-4-3-9-2-1-8(5-10(9)6-11)7-16(13,14)15/h1-6,12H,7H2,(H,13,14,15)
InChIKeyIZIVZMMICUWBQM-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.93
Rot. Bonds2

About (7-hydroxynaphthalen-2-yl)methanesulfonic acid

(7-hydroxynaphthalen-2-yl)methanesulfonic acid (PubChem CID 175033542) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is (7-hydroxynaphthalen-2-yl)methanesulfonic acid.

Molecular Properties

Compound Name(7-hydroxynaphthalen-2-yl)methanesulfonic acid
PubChem CID175033542
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name(7-hydroxynaphthalen-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C11H10O4S/c12-11-4-3-9-2-1-8(5-10(9)6-11)7-16(13,14)15/h1-6,12H,7H2,(H,13,14,15)
InChIKeyIZIVZMMICUWBQM-UHFFFAOYSA-N
XLogP1.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.93
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 (7-hydroxynaphthalen-2-yl)methanesulfonic acid?
The IUPAC name of (7-hydroxynaphthalen-2-yl)methanesulfonic acid (CID 175033542) is (7-hydroxynaphthalen-2-yl)methanesulfonic acid.
What is the SMILES notation for (7-hydroxynaphthalen-2-yl)methanesulfonic acid?
The canonical SMILES for (7-hydroxynaphthalen-2-yl)methanesulfonic acid is O=S(=O)(O)Cc1ccc2ccc(O)cc2c1.
What is the InChIKey of (7-hydroxynaphthalen-2-yl)methanesulfonic acid?
The InChIKey is IZIVZMMICUWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c12-11-4-3-9-2-1-8(5-10(9)6-11)7-16(13,14)15/h1-6,12H,7H2,(H,13,14,15).
What are the key properties of (7-hydroxynaphthalen-2-yl)methanesulfonic acid?
(7-hydroxynaphthalen-2-yl)methanesulfonic acid has a molecular weight of 238.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxynaphthalen-2-yl)methanesulfonic acid is sourced from PubChem (CID 175033542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).