4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol

C18H17FO2 — CID 60800953

IUPAC4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
SMILESCc1ccc(OCc2ccc(F)cc2)c(C#CCCO)c1
InChIInChI=1S/C18H17FO2/c1-14-5-10-18(16(12-14)4-2-3-11-20)21-13-15-6-8-17(19)9-7-15/h5-10,12,20H,3,11,13H2,1H3
InChIKeyXRMWFPPVUFKKOO-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.45
Rot. Bonds4

About 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol

4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol (PubChem CID 60800953) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
PubChem CID60800953
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
SMILESCc1ccc(OCc2ccc(F)cc2)c(C#CCCO)c1
InChIInChI=1S/C18H17FO2/c1-14-5-10-18(16(12-14)4-2-3-11-20)21-13-15-6-8-17(19)9-7-15/h5-10,12,20H,3,11,13H2,1H3
InChIKeyXRMWFPPVUFKKOO-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
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

3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205
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
2-(4-chlorobut-1-ynyl)-4-methyl-1-[(4-methylphenyl)methoxy]benzene
CID 60800112
3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801508
4-[5-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]but-3-yn-1-ol
CID 107051602
4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 60799532
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 105374454
4-[2-(3-ethoxypropoxy)-5-methylphenyl]but-3-yn-1-ol
CID 65180661
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 60802239
4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 79263412
3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60800065

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol (CID 60800953) is 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol is Cc1ccc(OCc2ccc(F)cc2)c(C#CCCO)c1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol?
The InChIKey is XRMWFPPVUFKKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-14-5-10-18(16(12-14)4-2-3-11-20)21-13-15-6-8-17(19)9-7-15/h5-10,12,20H,3,11,13H2,1H3.
What are the key properties of 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol?
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol has a molecular weight of 284.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol is sourced from PubChem (CID 60800953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).