9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid

C15H12O5S — CID 18680044

IUPAC9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid
SMILESO=COCC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C15H12O5S/c16-9-20-8-15-12-4-2-1-3-11(12)13-6-5-10(7-14(13)15)21(17,18)19/h1-7,9,15H,8H2,(H,17,18,19)
InChIKeyWYHROOLVNNSPHH-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.22
Rot. Bonds4

About 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid

9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid (PubChem CID 18680044) has the molecular formula C15H12O5S and a molecular weight of 304.32 g/mol. Its IUPAC name is 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid.

Molecular Properties

Compound Name9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid
PubChem CID18680044
Molecular FormulaC15H12O5S
Molecular Weight304.32 g/mol
Exact Mass304.04
IUPAC Name9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid
SMILESO=COCC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C15H12O5S/c16-9-20-8-15-12-4-2-1-3-11(12)13-6-5-10(7-14(13)15)21(17,18)19/h1-7,9,15H,8H2,(H,17,18,19)
InChIKeyWYHROOLVNNSPHH-UHFFFAOYSA-N
XLogP2.22
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid
CID 87313884
9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)methyl]-9H-fluorene-2-sulfonic acid
CID 87698831
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid
CID 175249700
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
CID 141007243
(2S,3S)-2-[(2,7-disulfo-9H-fluoren-9-yl)methoxycarbonylamino]-3-methylpentanoic acid
CID 172994769
9,10-dioxoanthracene-2-sulfonic acid;hydrate
CID 87345179
ethane;O-(9H-fluoren-9-ylmethyl) methanethioate
CID 155721769
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl formate
CID 159938128
[1-(9H-fluoren-9-ylmethoxy)-1-oxopropan-2-yl]azanium;4-methylbenzenesulfonate
CID 45146846
9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid
CID 58372655

Frequently Asked Questions

What is the IUPAC name of 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid?
The IUPAC name of 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid (CID 18680044) is 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid.
What is the SMILES notation for 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid?
The canonical SMILES for 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid is O=COCC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21.
What is the InChIKey of 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid?
The InChIKey is WYHROOLVNNSPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5S/c16-9-20-8-15-12-4-2-1-3-11(12)13-6-5-10(7-14(13)15)21(17,18)19/h1-7,9,15H,8H2,(H,17,18,19).
What are the key properties of 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid?
9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid has a molecular weight of 304.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid is sourced from PubChem (CID 18680044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).