10-methoxyanthracene-2-sulfonic acid

C15H12O4S — CID 18779959

IUPAC10-methoxyanthracene-2-sulfonic acid
SMILESCOc1c2ccccc2cc2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C15H12O4S/c1-19-15-13-5-3-2-4-10(13)8-11-9-12(20(16,17)18)6-7-14(11)15/h2-9H,1H3,(H,16,17,18)
InChIKeyHFHCDJSAEXMPGY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.25
Rot. Bonds2

About 10-methoxyanthracene-2-sulfonic acid

10-methoxyanthracene-2-sulfonic acid (PubChem CID 18779959) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is 10-methoxyanthracene-2-sulfonic acid.

Molecular Properties

Compound Name10-methoxyanthracene-2-sulfonic acid
PubChem CID18779959
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name10-methoxyanthracene-2-sulfonic acid
SMILESCOc1c2ccccc2cc2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C15H12O4S/c1-19-15-13-5-3-2-4-10(13)8-11-9-12(20(16,17)18)6-7-14(11)15/h2-9H,1H3,(H,16,17,18)
InChIKeyHFHCDJSAEXMPGY-UHFFFAOYSA-N
XLogP3.25
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tetracene-2-sulfonic acid
CID 21483873
5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
CID 174648265
butan-1-amine;9,10-dimethoxyanthracene-2-sulfonic acid
CID 172847112
naphthalene-2-sulfonic acid
CID 8420
4-methylnaphthalene-2-sulfonic acid
CID 15706019
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
sodium 3-sulfonaphthalen-1-olate
CID 101310118
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425

Frequently Asked Questions

What is the IUPAC name of 10-methoxyanthracene-2-sulfonic acid?
The IUPAC name of 10-methoxyanthracene-2-sulfonic acid (CID 18779959) is 10-methoxyanthracene-2-sulfonic acid.
What is the SMILES notation for 10-methoxyanthracene-2-sulfonic acid?
The canonical SMILES for 10-methoxyanthracene-2-sulfonic acid is COc1c2ccccc2cc2cc(S(=O)(=O)O)ccc12.
What is the InChIKey of 10-methoxyanthracene-2-sulfonic acid?
The InChIKey is HFHCDJSAEXMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4S/c1-19-15-13-5-3-2-4-10(13)8-11-9-12(20(16,17)18)6-7-14(11)15/h2-9H,1H3,(H,16,17,18).
What are the key properties of 10-methoxyanthracene-2-sulfonic acid?
10-methoxyanthracene-2-sulfonic acid has a molecular weight of 288.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxyanthracene-2-sulfonic acid is sourced from PubChem (CID 18779959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).