4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol

C17H14F2O2 — CID 63037486

IUPAC4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccccc1COc1cccc(F)c1F
InChIInChI=1S/C17H14F2O2/c18-15-9-5-10-16(17(15)19)21-12-14-8-2-1-6-13(14)7-3-4-11-20/h1-2,5-6,8-10,20H,4,11-12H2
InChIKeyQLYZMXMUQYYTEF-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.28
Rot. Bonds4

About 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol

4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol (PubChem CID 63037486) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol
PubChem CID63037486
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccccc1COc1cccc(F)c1F
InChIInChI=1S/C17H14F2O2/c18-15-9-5-10-16(17(15)19)21-12-14-8-2-1-6-13(14)7-3-4-11-20/h1-2,5-6,8-10,20H,4,11-12H2
InChIKeyQLYZMXMUQYYTEF-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.28
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-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]-2,3-difluorobenzene
CID 60802065
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
4-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800079
3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60799612
3-[2-[(2,5-difluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 63269923
4-[2-(2,2-difluoroethoxymethyl)phenyl]but-3-yn-1-ol
CID 82006810
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
4-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 115983986

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol (CID 63037486) is 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol is OCCC#Cc1ccccc1COc1cccc(F)c1F.
What is the InChIKey of 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol?
The InChIKey is QLYZMXMUQYYTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-15-9-5-10-16(17(15)19)21-12-14-8-2-1-6-13(14)7-3-4-11-20/h1-2,5-6,8-10,20H,4,11-12H2.
What are the key properties of 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol?
4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol has a molecular weight of 288.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63037486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).