5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol

C14H21FO3 — CID 83944238

IUPAC5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
SMILESCCCOc1ccc(F)cc1CCC(O)C(C)O
InChIInChI=1S/C14H21FO3/c1-3-8-18-14-7-5-12(15)9-11(14)4-6-13(17)10(2)16/h5,7,9-10,13,16-17H,3-4,6,8H2,1-2H3
InChIKeyCUDPTJJRXKIFQF-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.29
Rot. Bonds7

About 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol

5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol (PubChem CID 83944238) has the molecular formula C14H21FO3 and a molecular weight of 256.32 g/mol. Its IUPAC name is 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
PubChem CID83944238
Molecular FormulaC14H21FO3
Molecular Weight256.32 g/mol
Exact Mass256.15
IUPAC Name5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
SMILESCCCOc1ccc(F)cc1CCC(O)C(C)O
InChIInChI=1S/C14H21FO3/c1-3-8-18-14-7-5-12(15)9-11(14)4-6-13(17)10(2)16/h5,7,9-10,13,16-17H,3-4,6,8H2,1-2H3
InChIKeyCUDPTJJRXKIFQF-UHFFFAOYSA-N
XLogP2.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
CID 83944195
4-[2-(5-fluoro-2-propoxyphenyl)ethyl]-2H-triazole
CID 112719741
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
4-(5-fluoro-2-propoxyphenyl)-3-methylbutanethioamide
CID 83944175

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol?
The IUPAC name of 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol (CID 83944238) is 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol is CCCOc1ccc(F)cc1CCC(O)C(C)O.
What is the InChIKey of 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol?
The InChIKey is CUDPTJJRXKIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO3/c1-3-8-18-14-7-5-12(15)9-11(14)4-6-13(17)10(2)16/h5,7,9-10,13,16-17H,3-4,6,8H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol?
5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol has a molecular weight of 256.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol is sourced from PubChem (CID 83944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).