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

C17H14ClFO2 — CID 60799532

IUPAC4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
SMILESOCCC#Cc1cc(F)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H14ClFO2/c18-15-6-3-4-13(10-15)12-21-17-8-7-16(19)11-14(17)5-1-2-9-20/h3-4,6-8,10-11,20H,2,9,12H2
InChIKeyYPJCNOWADQRPJY-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.79
Rot. Bonds4

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

4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol (PubChem CID 60799532) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
PubChem CID60799532
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
SMILESOCCC#Cc1cc(F)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H14ClFO2/c18-15-6-3-4-13(10-15)12-21-17-8-7-16(19)11-14(17)5-1-2-9-20/h3-4,6-8,10-11,20H,2,9,12H2
InChIKeyYPJCNOWADQRPJY-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.79
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-[(3-chlorophenyl)methoxy]-4-fluorophenyl]but-3-yn-1-ol
CID 114675375
4-[3-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 81315261
1-chloro-3-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]benzene
CID 60802070
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 107885336
4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 79263412
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800953
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 60802239
2-(3-chloroprop-1-ynyl)-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 60799542
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 107885421
4-[2-(3-ethylsulfonylpropoxy)-5-fluorophenyl]but-3-yn-1-ol
CID 65095420

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol (CID 60799532) is 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol is OCCC#Cc1cc(F)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol?
The InChIKey is YPJCNOWADQRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-15-6-3-4-13(10-15)12-21-17-8-7-16(19)11-14(17)5-1-2-9-20/h3-4,6-8,10-11,20H,2,9,12H2.
What are the key properties of 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol?
4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol has a molecular weight of 304.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol is sourced from PubChem (CID 60799532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).