2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

C19H19F3O4 — CID 59493174

IUPAC2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O4/c20-19(21,22)18(25)15-6-2-1-5-14(15)17-12(11-24)9-13(10-16(17)18)26-8-4-3-7-23/h1-2,5-6,9-10,23-25H,3-4,7-8,11H2
InChIKeyOLWOQNGODBKIIO-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493174) has the molecular formula C19H19F3O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493174
Molecular FormulaC19H19F3O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O4/c20-19(21,22)18(25)15-6-2-1-5-14(15)17-12(11-24)9-13(10-16(17)18)26-8-4-3-7-23/h1-2,5-6,9-10,23-25H,3-4,7-8,11H2
InChIKeyOLWOQNGODBKIIO-UHFFFAOYSA-N
XLogP3.11
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
(3E,5E)-6-[3-(3,4-Bis-hydroxymethylbenzyloxy)-phenyl]-1,1,1-trifluoro-2-trifluoromethylocta-3,5-dien-2-ol
CID 59263692
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
(2S,3R,4R,5S,6R)-2-[7-(difluoromethyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71078474
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
4-Chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492741
Ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoate
CID 59492815

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59493174) is 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is OCCCCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is OLWOQNGODBKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O4/c20-19(21,22)18(25)15-6-2-1-5-14(15)17-12(11-24)9-13(10-16(17)18)26-8-4-3-7-23/h1-2,5-6,9-10,23-25H,3-4,7-8,11H2.
What are the key properties of 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 368.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).