butane-1,4-diol;9H-fluorene

C17H20O2 — CID 158933795

IUPACbutane-1,4-diol;9H-fluorene
SMILESOCCCCO.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C4H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5-3-1-2-4-6/h1-8H,9H2;5-6H,1-4H2
InChIKeyJJJXWUHGKSCVPB-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.01
Rot. Bonds3

About butane-1,4-diol;9H-fluorene

butane-1,4-diol;9H-fluorene (PubChem CID 158933795) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is butane-1,4-diol;9H-fluorene.

Molecular Properties

Compound Namebutane-1,4-diol;9H-fluorene
PubChem CID158933795
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Namebutane-1,4-diol;9H-fluorene
SMILESOCCCCO.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C4H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5-3-1-2-4-6/h1-8H,9H2;5-6H,1-4H2
InChIKeyJJJXWUHGKSCVPB-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
bis(9H-fluorene);pentane
CID 159146463
9H-fluorene;propane-1,2-diol
CID 158061143
5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
CID 110923925
ethane-1,2-diamine;9H-fluorene
CID 159422270
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of butane-1,4-diol;9H-fluorene?
The IUPAC name of butane-1,4-diol;9H-fluorene (CID 158933795) is butane-1,4-diol;9H-fluorene.
What is the SMILES notation for butane-1,4-diol;9H-fluorene?
The canonical SMILES for butane-1,4-diol;9H-fluorene is OCCCCO.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of butane-1,4-diol;9H-fluorene?
The InChIKey is JJJXWUHGKSCVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;5-3-1-2-4-6/h1-8H,9H2;5-6H,1-4H2.
What are the key properties of butane-1,4-diol;9H-fluorene?
butane-1,4-diol;9H-fluorene has a molecular weight of 256.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diol;9H-fluorene is sourced from PubChem (CID 158933795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).