[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate

C20H20O2S — CID 59476823

IUPAC[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCS)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20O2S/c1-14(2)19(21)22-20(12-7-13-23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,23H,1,7,12-13H2,2H3
InChIKeyMYIQDVHNLBMYSX-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.74
Rot. Bonds5

About [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate

[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate (PubChem CID 59476823) has the molecular formula C20H20O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
PubChem CID59476823
Molecular FormulaC20H20O2S
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Name[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCS)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20O2S/c1-14(2)19(21)22-20(12-7-13-23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,23H,1,7,12-13H2,2H3
InChIKeyMYIQDVHNLBMYSX-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476842
(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate
CID 160519845
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476828
(9-tert-butylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476848
(9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891182
(7-tert-butylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;ethane;[7-(4-hydroxybutyl)benzo[a]phenalen-7-yl] 2-methylprop-2-enoate;methanol;methoxymethane;methyl acetate;tetrakis((7-methylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate);(7-phenylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;[7-(4-sulfanylbutyl)benzo[a]phenalen-7-yl] 2-methylprop-2-enoate
CID 158894460
(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
CID 59476831
(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
CID 70055433
(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate
CID 89397821
(10-oxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891178
(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate
CID 59476795
(7-methylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;nitromethane
CID 160961559

Frequently Asked Questions

What is the IUPAC name of [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate?
The IUPAC name of [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate (CID 59476823) is [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate?
The canonical SMILES for [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCCS)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate?
The InChIKey is MYIQDVHNLBMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c1-14(2)19(21)22-20(12-7-13-23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,23H,1,7,12-13H2,2H3.
What are the key properties of [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate?
[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate has a molecular weight of 324.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 59476823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).