7-methyl-9-methylidenefluorene-2-sulfonic acid

C15H12O3S — CID 130287289

IUPAC7-methyl-9-methylidenefluorene-2-sulfonic acid
SMILESC=C1c2cc(C)ccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C15H12O3S/c1-9-3-5-12-13-6-4-11(19(16,17)18)8-15(13)10(2)14(12)7-9/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyJIUZFGNIOFXVND-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.28
Rot. Bonds1

About 7-methyl-9-methylidenefluorene-2-sulfonic acid

7-methyl-9-methylidenefluorene-2-sulfonic acid (PubChem CID 130287289) has the molecular formula C15H12O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 7-methyl-9-methylidenefluorene-2-sulfonic acid.

Molecular Properties

Compound Name7-methyl-9-methylidenefluorene-2-sulfonic acid
PubChem CID130287289
Molecular FormulaC15H12O3S
Molecular Weight272.33 g/mol
Exact Mass272.05
IUPAC Name7-methyl-9-methylidenefluorene-2-sulfonic acid
SMILESC=C1c2cc(C)ccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C15H12O3S/c1-9-3-5-12-13-6-4-11(19(16,17)18)8-15(13)10(2)14(12)7-9/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyJIUZFGNIOFXVND-UHFFFAOYSA-N
XLogP3.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methylidenefluorene-2,7-disulfonic acid
CID 130291005
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625
4-methylbenzenesulfonic acid
CID 157221593
sodium;hydride;6-methylnaphthalene-2-sulfonic acid
CID 173399427
2-bromo-7-methyl-9-methylidenefluorene
CID 143934053
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
CID 6371597
CID 6371597
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
azane;4-methylbenzenesulfonic acid;hydrate
CID 87973171
methanol;4-methylbenzenesulfonic acid;nickel
CID 162157785
benzene;4-methylbenzenesulfonic acid
CID 22637252
(125I)iodomethane;4-methylbenzenesulfonic acid
CID 158752448

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-methylidenefluorene-2-sulfonic acid?
The IUPAC name of 7-methyl-9-methylidenefluorene-2-sulfonic acid (CID 130287289) is 7-methyl-9-methylidenefluorene-2-sulfonic acid.
What is the SMILES notation for 7-methyl-9-methylidenefluorene-2-sulfonic acid?
The canonical SMILES for 7-methyl-9-methylidenefluorene-2-sulfonic acid is C=C1c2cc(C)ccc2-c2ccc(S(=O)(=O)O)cc21.
What is the InChIKey of 7-methyl-9-methylidenefluorene-2-sulfonic acid?
The InChIKey is JIUZFGNIOFXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c1-9-3-5-12-13-6-4-11(19(16,17)18)8-15(13)10(2)14(12)7-9/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of 7-methyl-9-methylidenefluorene-2-sulfonic acid?
7-methyl-9-methylidenefluorene-2-sulfonic acid has a molecular weight of 272.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-methylidenefluorene-2-sulfonic acid is sourced from PubChem (CID 130287289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).