4-ethynoxy-2-fluoro-1-phenoxybenzene

C14H9FO2 — CID 70469154

IUPAC4-ethynoxy-2-fluoro-1-phenoxybenzene
SMILESC#COc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C14H9FO2/c1-2-16-12-8-9-14(13(15)10-12)17-11-6-4-3-5-7-11/h1,3-10H
InChIKeyXDSIDJBCYBDREJ-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.59
Rot. Bonds3

About 4-ethynoxy-2-fluoro-1-phenoxybenzene

4-ethynoxy-2-fluoro-1-phenoxybenzene (PubChem CID 70469154) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-ethynoxy-2-fluoro-1-phenoxybenzene.

Molecular Properties

Compound Name4-ethynoxy-2-fluoro-1-phenoxybenzene
PubChem CID70469154
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name4-ethynoxy-2-fluoro-1-phenoxybenzene
SMILESC#COc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C14H9FO2/c1-2-16-12-8-9-14(13(15)10-12)17-11-6-4-3-5-7-11/h1,3-10H
InChIKeyXDSIDJBCYBDREJ-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
CID 11438746
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
1-fluoro-4-phenoxy-2-prop-2-ynylbenzene
CID 57201651
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327

Frequently Asked Questions

What is the IUPAC name of 4-ethynoxy-2-fluoro-1-phenoxybenzene?
The IUPAC name of 4-ethynoxy-2-fluoro-1-phenoxybenzene (CID 70469154) is 4-ethynoxy-2-fluoro-1-phenoxybenzene.
What is the SMILES notation for 4-ethynoxy-2-fluoro-1-phenoxybenzene?
The canonical SMILES for 4-ethynoxy-2-fluoro-1-phenoxybenzene is C#COc1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 4-ethynoxy-2-fluoro-1-phenoxybenzene?
The InChIKey is XDSIDJBCYBDREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c1-2-16-12-8-9-14(13(15)10-12)17-11-6-4-3-5-7-11/h1,3-10H.
What are the key properties of 4-ethynoxy-2-fluoro-1-phenoxybenzene?
4-ethynoxy-2-fluoro-1-phenoxybenzene has a molecular weight of 228.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynoxy-2-fluoro-1-phenoxybenzene is sourced from PubChem (CID 70469154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).