5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol

C19H19FO2 — CID 21322207

IUPAC5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol
SMILESCC(C#Cc1cccc(Oc2ccc(F)cc2)c1)C(C)(C)O
InChIInChI=1S/C19H19FO2/c1-14(19(2,3)21)7-8-15-5-4-6-18(13-15)22-17-11-9-16(20)10-12-17/h4-6,9-14,21H,1-3H3
InChIKeyIXYUHKQFHSPTFY-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.38
Rot. Bonds3

About 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol

5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol (PubChem CID 21322207) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol.

Molecular Properties

Compound Name5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol
PubChem CID21322207
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol
SMILESCC(C#Cc1cccc(Oc2ccc(F)cc2)c1)C(C)(C)O
InChIInChI=1S/C19H19FO2/c1-14(19(2,3)21)7-8-15-5-4-6-18(13-15)22-17-11-9-16(20)10-12-17/h4-6,9-14,21H,1-3H3
InChIKeyIXYUHKQFHSPTFY-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol
CID 21322350
1-(2-phenylethynyl)-3-[4-(2-phenylethynyl)phenoxy]benzene
CID 139902783
1-[3-(4-chlorophenoxy)phenyl]hex-1-yn-3-ol
CID 21322338
1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol
CID 21322355
4-[3-(trifluoromethoxy)phenyl]but-3-yn-2-amine
CID 114418792
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
4-[3-[4-[2-[3-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-2-methylbut-3-yn-2-ol
CID 20521102
(2R)-4-(3-fluorophenyl)but-3-yn-2-ol
CID 173336751
3-[3-(4-methylphenoxy)phenyl]prop-2-yn-1-ol
CID 139677228
3-ethyl-1-[4-[2-[4-[4-[4-[2-[3-(3-ethyl-3-hydroxypent-1-ynyl)phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]phenyl]pent-1-yn-3-ol
CID 20521058
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol?
The IUPAC name of 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol (CID 21322207) is 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol.
What is the SMILES notation for 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol?
The canonical SMILES for 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol is CC(C#Cc1cccc(Oc2ccc(F)cc2)c1)C(C)(C)O.
What is the InChIKey of 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol?
The InChIKey is IXYUHKQFHSPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c1-14(19(2,3)21)7-8-15-5-4-6-18(13-15)22-17-11-9-16(20)10-12-17/h4-6,9-14,21H,1-3H3.
What are the key properties of 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol?
5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol has a molecular weight of 298.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol is sourced from PubChem (CID 21322207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).