2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol

C25H30O — CID 141464363

IUPAC2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol
SMILESC#Cc1ccc2c(c1CCO)C(CCCC)(CCCC)c1ccccc1-2
InChIInChI=1S/C25H30O/c1-4-7-16-25(17-8-5-2)23-12-10-9-11-21(23)22-14-13-19(6-3)20(15-18-26)24(22)25/h3,9-14,26H,4-5,7-8,15-18H2,1-2H3
InChIKeyRVLNDFZKJKKGMO-UHFFFAOYSA-N
MW346.51 g/mol
LogP5.85
Rot. Bonds8

About 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol

2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol (PubChem CID 141464363) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol.

Molecular Properties

Compound Name2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol
PubChem CID141464363
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Name2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol
SMILESC#Cc1ccc2c(c1CCO)C(CCCC)(CCCC)c1ccccc1-2
InChIInChI=1S/C25H30O/c1-4-7-16-25(17-8-5-2)23-12-10-9-11-21(23)22-14-13-19(6-3)20(15-18-26)24(22)25/h3,9-14,26H,4-5,7-8,15-18H2,1-2H3
InChIKeyRVLNDFZKJKKGMO-UHFFFAOYSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethynylphenyl)-9,9-dihexylfluorene
CID 150376701
2-ethynyl-9,9-dioctylfluorene
CID 18442166
4-(9,9-dihexylfluoren-1-yl)phenol
CID 174851586
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
2-[9,9-dioctyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141374528
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
10-(9-butyl-9-propylfluoren-1-yl)-22-(9,9-dipropylfluoren-1-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
CID 168856573
CID 162235627
CID 162235627
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol?
The IUPAC name of 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol (CID 141464363) is 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol.
What is the SMILES notation for 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol?
The canonical SMILES for 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol is C#Cc1ccc2c(c1CCO)C(CCCC)(CCCC)c1ccccc1-2.
What is the InChIKey of 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol?
The InChIKey is RVLNDFZKJKKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O/c1-4-7-16-25(17-8-5-2)23-12-10-9-11-21(23)22-14-13-19(6-3)20(15-18-26)24(22)25/h3,9-14,26H,4-5,7-8,15-18H2,1-2H3.
What are the key properties of 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol?
2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol has a molecular weight of 346.51 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dibutyl-2-ethynylfluoren-1-yl)ethanol is sourced from PubChem (CID 141464363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).