4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol

C17H15FO2 — CID 59214139

IUPAC4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol
SMILESCc1cc(C#Cc2ccc(O)cc2)ccc1OCCF
InChIInChI=1S/C17H15FO2/c1-13-12-15(6-9-17(13)20-11-10-18)3-2-14-4-7-16(19)8-5-14/h4-9,12,19H,10-11H2,1H3
InChIKeyVVUFJENLXVIZFC-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.45
Rot. Bonds3

About 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol

4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol (PubChem CID 59214139) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol
PubChem CID59214139
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol
SMILESCc1cc(C#Cc2ccc(O)cc2)ccc1OCCF
InChIInChI=1S/C17H15FO2/c1-13-12-15(6-9-17(13)20-11-10-18)3-2-14-4-7-16(19)8-5-14/h4-9,12,19H,10-11H2,1H3
InChIKeyVVUFJENLXVIZFC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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

4-[4-(2-fluoroethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 80694952
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline
CID 143693515
1-(difluoromethoxy)-4-[2-[4-fluoro-3-(2-fluoroethoxy)phenyl]ethynyl]-2-methylbenzene
CID 86627692
4-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]but-3-yn-1-ol
CID 64565315
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
4-[2-[4-(2-fluoroethoxy)-3-iodophenyl]ethynyl]-N-methylaniline
CID 59214137
4-[4-(2,2-difluoroethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214588
4-[4-(3-methoxypropoxy)-3-methylphenyl]but-3-yn-1-ol
CID 55163667
4-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]but-3-yn-1-ol
CID 63214502
4-[3-methyl-4-(3-methylbutoxy)phenyl]but-3-yn-1-ol
CID 63214237
3-[4-(4-methoxybutoxy)-3-methylphenyl]prop-2-yn-1-amine
CID 113437060
4-[3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 63214842

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol?
The IUPAC name of 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol (CID 59214139) is 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol.
What is the SMILES notation for 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol?
The canonical SMILES for 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol is Cc1cc(C#Cc2ccc(O)cc2)ccc1OCCF.
What is the InChIKey of 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol?
The InChIKey is VVUFJENLXVIZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-13-12-15(6-9-17(13)20-11-10-18)3-2-14-4-7-16(19)8-5-14/h4-9,12,19H,10-11H2,1H3.
What are the key properties of 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol?
4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol has a molecular weight of 270.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol is sourced from PubChem (CID 59214139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).