3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol

C9H6F2O2 — CID 163323399

IUPAC3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
SMILESOCC#Cc1c(F)cc(O)cc1F
InChIInChI=1S/C9H6F2O2/c10-8-4-6(13)5-9(11)7(8)2-1-3-12/h4-5,12-13H,3H2
InChIKeyPRKWBESZKWQFMR-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.01
Rot. Bonds

About 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol

3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol (PubChem CID 163323399) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol.

Molecular Properties

Compound Name3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
PubChem CID163323399
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
SMILESOCC#Cc1c(F)cc(O)cc1F
InChIInChI=1S/C9H6F2O2/c10-8-4-6(13)5-9(11)7(8)2-1-3-12/h4-5,12-13H,3H2
InChIKeyPRKWBESZKWQFMR-UHFFFAOYSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-[4-(methylamino)but-1-ynyl]phenol
CID 170464242
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 169484963
4,5-difluoro-2-(3-hydroxyprop-1-ynyl)phenol
CID 169484957
3-(2,6-dichloro-4-fluorophenyl)prop-2-yn-1-ol
CID 169484873
1,10-difluoro-3-hydroxy-8-(3-hydroxyprop-1-ynyl)benzo[c]chromen-6-one
CID 164598502
3-(5-amino-2,4-difluorophenyl)prop-2-yn-1-ol
CID 169485056
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
3,4,5-trifluorophenol
CID 2777943
7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485557
4-(2,4,6-trifluorophenyl)but-3-ynenitrile
CID 170474610
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
4-(2-fluoro-4,6-dimethylphenyl)but-3-yn-1-ol
CID 106882135

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
The IUPAC name of 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol (CID 163323399) is 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol.
What is the SMILES notation for 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
The canonical SMILES for 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol is OCC#Cc1c(F)cc(O)cc1F.
What is the InChIKey of 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
The InChIKey is PRKWBESZKWQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c10-8-4-6(13)5-9(11)7(8)2-1-3-12/h4-5,12-13H,3H2.
What are the key properties of 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol?
3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol has a molecular weight of 184.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-hydroxyprop-1-ynyl)phenol is sourced from PubChem (CID 163323399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).