9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate

C20H16O2S — CID 7648640

IUPAC9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OC2c3ccccc3-c3ccccc32)c(C)s1
InChIInChI=1S/C20H16O2S/c1-12-11-18(13(2)23-12)20(21)22-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-11,19H,1-2H3
InChIKeyLWKMXOPUTILTHY-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.29
Rot. Bonds2

About 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate

9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate (PubChem CID 7648640) has the molecular formula C20H16O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate
PubChem CID7648640
Molecular FormulaC20H16O2S
Molecular Weight320.41 g/mol
Exact Mass320.09
IUPAC Name9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OC2c3ccccc3-c3ccccc32)c(C)s1
InChIInChI=1S/C20H16O2S/c1-12-11-18(13(2)23-12)20(21)22-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-11,19H,1-2H3
InChIKeyLWKMXOPUTILTHY-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-yl 4-amino-3-methylbenzoate
CID 91682868
9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate
CID 7786361
ethane;methyl 2,5-dimethylthiophene-3-carboxylate
CID 143851717
9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253140
9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
CID 8524888
9H-fluoren-9-yl furan-2-carboxylate
CID 7814199
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
9H-fluoren-9-yl propyl carbonate
CID 175604366
9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
CID 7908802
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2,5-dimethylthiophene-3-carboxylate
CID 8878495
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 8861754

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate (CID 7648640) is 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate is Cc1cc(C(=O)OC2c3ccccc3-c3ccccc32)c(C)s1.
What is the InChIKey of 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is LWKMXOPUTILTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S/c1-12-11-18(13(2)23-12)20(21)22-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-11,19H,1-2H3.
What are the key properties of 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate?
9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 7648640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).