4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol

C17H16FNO2 — CID 79263412

IUPAC4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
SMILESCc1cccc(COc2ccc(F)cc2C#CCCO)n1
InChIInChI=1S/C17H16FNO2/c1-13-5-4-7-16(19-13)12-21-17-9-8-15(18)11-14(17)6-2-3-10-20/h4-5,7-9,11,20H,3,10,12H2,1H3
InChIKeyCRYSEHKTCHIGKN-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.84
Rot. Bonds4

About 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol

4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol (PubChem CID 79263412) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
PubChem CID79263412
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
SMILESCc1cccc(COc2ccc(F)cc2C#CCCO)n1
InChIInChI=1S/C17H16FNO2/c1-13-5-4-7-16(19-13)12-21-17-9-8-15(18)11-14(17)6-2-3-10-20/h4-5,7-9,11,20H,3,10,12H2,1H3
InChIKeyCRYSEHKTCHIGKN-UHFFFAOYSA-N
XLogP2.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
CID 79261399
4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 60799532
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800953
4-[2-(3-ethylsulfonylpropoxy)-5-fluorophenyl]but-3-yn-1-ol
CID 65095420
5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82910183
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270
4-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800079
4-[2-(2-fluoroethoxy)-5-methylphenyl]but-3-yn-1-ol
CID 80694141
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol (CID 79263412) is 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol is Cc1cccc(COc2ccc(F)cc2C#CCCO)n1.
What is the InChIKey of 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol?
The InChIKey is CRYSEHKTCHIGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-13-5-4-7-16(19-13)12-21-17-9-8-15(18)11-14(17)6-2-3-10-20/h4-5,7-9,11,20H,3,10,12H2,1H3.
What are the key properties of 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol?
4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol has a molecular weight of 285.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 79263412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).