1-fluoro-4-phenoxy-2-prop-2-ynylbenzene

C15H11FO — CID 57201651

IUPAC1-fluoro-4-phenoxy-2-prop-2-ynylbenzene
SMILESC#CCc1cc(Oc2ccccc2)ccc1F
InChIInChI=1S/C15H11FO/c1-2-6-12-11-14(9-10-15(12)16)17-13-7-4-3-5-8-13/h1,3-5,7-11H,6H2
InChIKeyINIRVKNFCDMSNS-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.79
Rot. Bonds3

About 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene

1-fluoro-4-phenoxy-2-prop-2-ynylbenzene (PubChem CID 57201651) has the molecular formula C15H11FO and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene.

Molecular Properties

Compound Name1-fluoro-4-phenoxy-2-prop-2-ynylbenzene
PubChem CID57201651
Molecular FormulaC15H11FO
Molecular Weight226.25 g/mol
Exact Mass226.08
IUPAC Name1-fluoro-4-phenoxy-2-prop-2-ynylbenzene
SMILESC#CCc1cc(Oc2ccccc2)ccc1F
InChIInChI=1S/C15H11FO/c1-2-6-12-11-14(9-10-15(12)16)17-13-7-4-3-5-8-13/h1,3-5,7-11H,6H2
InChIKeyINIRVKNFCDMSNS-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
CID 21269674
4-(4-ethynylphenoxy)-1,2-difluorobenzene
CID 138985519
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4-ethynoxy-2-fluoro-1-phenoxybenzene
CID 70469154
1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine
CID 83988690
2-(bromomethyl)-1-chloro-4-phenoxybenzene
CID 23313954
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
oxophosphanium;phenoxybenzene
CID 161329594
1,3-difluoro-5-phenoxybenzene
CID 13455928

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene?
The IUPAC name of 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene (CID 57201651) is 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene.
What is the SMILES notation for 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene?
The canonical SMILES for 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene is C#CCc1cc(Oc2ccccc2)ccc1F.
What is the InChIKey of 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene?
The InChIKey is INIRVKNFCDMSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO/c1-2-6-12-11-14(9-10-15(12)16)17-13-7-4-3-5-8-13/h1,3-5,7-11H,6H2.
What are the key properties of 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene?
1-fluoro-4-phenoxy-2-prop-2-ynylbenzene has a molecular weight of 226.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenoxy-2-prop-2-ynylbenzene is sourced from PubChem (CID 57201651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).