2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene

C15H10ClFO2 — CID 173273486

IUPAC2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene
SMILESC#CCOc1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFO2/c1-2-9-18-14-5-3-4-6-15(14)19-13-8-7-11(17)10-12(13)16/h1,3-8,10H,9H2
InChIKeyUXMICAYFBWKRFJ-UHFFFAOYSA-N
MW276.69 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene

2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene (PubChem CID 173273486) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene
PubChem CID173273486
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene
SMILESC#CCOc1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFO2/c1-2-9-18-14-5-3-4-6-15(14)19-13-8-7-11(17)10-12(13)16/h1,3-8,10H,9H2
InChIKeyUXMICAYFBWKRFJ-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-fluoro-2-prop-2-ynoxybenzene
CID 22482803
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
CID 11089987
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene?
The IUPAC name of 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene (CID 173273486) is 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene is C#CCOc1ccccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene?
The InChIKey is UXMICAYFBWKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c1-2-9-18-14-5-3-4-6-15(14)19-13-8-7-11(17)10-12(13)16/h1,3-8,10H,9H2.
What are the key properties of 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene?
2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene has a molecular weight of 276.69 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene is sourced from PubChem (CID 173273486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).