3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol

C17H15FO2 — CID 102983248

IUPAC3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
SMILESCc1ccc(F)cc1OCc1cccc(C#CCO)c1
InChIInChI=1S/C17H15FO2/c1-13-7-8-16(18)11-17(13)20-12-15-5-2-4-14(10-15)6-3-9-19/h2,4-5,7-8,10-11,19H,9,12H2,1H3
InChIKeyUGKQYSRZIKEBTK-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.06
Rot. Bonds3

About 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol

3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol (PubChem CID 102983248) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
PubChem CID102983248
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
SMILESCc1ccc(F)cc1OCc1cccc(C#CCO)c1
InChIInChI=1S/C17H15FO2/c1-13-7-8-16(18)11-17(13)20-12-15-5-2-4-14(10-15)6-3-9-19/h2,4-5,7-8,10-11,19H,9,12H2,1H3
InChIKeyUGKQYSRZIKEBTK-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.06
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

3-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 107660278
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
3-[3-fluoro-4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 107660269
3-[3-[(2,6-dimethylphenyl)methoxy]-4-fluorophenyl]prop-2-yn-1-ol
CID 114675253
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
3-[3-[(2,3-difluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63037141
3-[(3-fluorophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656435
3-[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 64855433
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 105374454
3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
CID 11469808
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
CID 107888398
3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60800065

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol (CID 102983248) is 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol is Cc1ccc(F)cc1OCc1cccc(C#CCO)c1.
What is the InChIKey of 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is UGKQYSRZIKEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-13-7-8-16(18)11-17(13)20-12-15-5-2-4-14(10-15)6-3-9-19/h2,4-5,7-8,10-11,19H,9,12H2,1H3.
What are the key properties of 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol?
3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 270.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 102983248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).