4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol

C18H17FO2 — CID 114348429

IUPAC4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
SMILESCc1cc(F)ccc1COc1cccc(C#CCCO)c1
InChIInChI=1S/C18H17FO2/c1-14-11-17(19)9-8-16(14)13-21-18-7-4-6-15(12-18)5-2-3-10-20/h4,6-9,11-12,20H,3,10,13H2,1H3
InChIKeyGAYVLBLOHFCKGI-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.45
Rot. Bonds4

About 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol

4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol (PubChem CID 114348429) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
PubChem CID114348429
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
SMILESCc1cc(F)ccc1COc1cccc(C#CCCO)c1
InChIInChI=1S/C18H17FO2/c1-14-11-17(19)9-8-16(14)13-21-18-7-4-6-15(12-18)5-2-3-10-20/h4,6-9,11-12,20H,3,10,13H2,1H3
InChIKeyGAYVLBLOHFCKGI-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

4-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 115983986
3-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348434
4-[3-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 60801313
3-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102619434
4-[3-[(3,4-difluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 82915423
3-[3-[(2,4-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62197838
[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
CID 114346391
4-[3-(3-fluoropropoxy)phenyl]but-3-yn-1-ol
CID 81114378
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
3-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801179
3-[2-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348433
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 61481933

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol (CID 114348429) is 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol is Cc1cc(F)ccc1COc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
The InChIKey is GAYVLBLOHFCKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-14-11-17(19)9-8-16(14)13-21-18-7-4-6-15(12-18)5-2-3-10-20/h4,6-9,11-12,20H,3,10,13H2,1H3.
What are the key properties of 4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]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-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 114348429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).