3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol

C16H11ClF2O2 — CID 107885336

IUPAC3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H11ClF2O2/c17-14-5-3-11(8-15(14)19)10-21-16-6-4-13(18)9-12(16)2-1-7-20/h3-6,8-9,20H,7,10H2
InChIKeyWESOPXPZBAQQHZ-UHFFFAOYSA-N
MW308.71 g/mol
LogP3.54
Rot. Bonds3

About 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol

3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol (PubChem CID 107885336) has the molecular formula C16H11ClF2O2 and a molecular weight of 308.71 g/mol. Its IUPAC name is 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
PubChem CID107885336
Molecular FormulaC16H11ClF2O2
Molecular Weight308.71 g/mol
Exact Mass308.04
IUPAC Name3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H11ClF2O2/c17-14-5-3-11(8-15(14)19)10-21-16-6-4-13(18)9-12(16)2-1-7-20/h3-6,8-9,20H,7,10H2
InChIKeyWESOPXPZBAQQHZ-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 53.54
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-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 107885421
3-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 106868906
4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 60799532
3-[3-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 107885357
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 60802239
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
CID 107888398
3-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 82717242
1-chloro-2-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]-3-fluorobenzene
CID 63418212
3-[2-[(2,5-difluorophenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 63269968
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol (CID 107885336) is 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)ccc1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is WESOPXPZBAQQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2O2/c17-14-5-3-11(8-15(14)19)10-21-16-6-4-13(18)9-12(16)2-1-7-20/h3-6,8-9,20H,7,10H2.
What are the key properties of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol?
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 308.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 107885336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).