2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol

C14H20F2O3 — CID 70193274

IUPAC2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol
SMILESCCCCCOCC(O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2O3/c1-2-3-4-7-19-10-14(18,9-17)12-6-5-11(15)8-13(12)16/h5-6,8,17-18H,2-4,7,9-10H2,1H3
InChIKeyBNHGPPKTJZHMNG-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.35
Rot. Bonds8

About 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol

2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol (PubChem CID 70193274) has the molecular formula C14H20F2O3 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol
PubChem CID70193274
Molecular FormulaC14H20F2O3
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol
SMILESCCCCCOCC(O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2O3/c1-2-3-4-7-19-10-14(18,9-17)12-6-5-11(15)8-13(12)16/h5-6,8,17-18H,2-4,7,9-10H2,1H3
InChIKeyBNHGPPKTJZHMNG-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide
CID 70119044
[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate
CID 15463463
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
(E)-1-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-3-(4-octoxyphenyl)prop-2-en-1-one
CID 71491340
[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] undecyl hydrogen phosphate
CID 11156957
fluorobenzene;1-hexoxyhexane
CID 174664464
2-fluoro-2-(hexadecoxymethyl)propane-1,3-diol
CID 10569765
1,4-difluoro-2-hexoxybenzene
CID 23437312
icosyl 2,4-difluorobenzoate
CID 91723271

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol (CID 70193274) is 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol is CCCCCOCC(O)(CO)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol?
The InChIKey is BNHGPPKTJZHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O3/c1-2-3-4-7-19-10-14(18,9-17)12-6-5-11(15)8-13(12)16/h5-6,8,17-18H,2-4,7,9-10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol?
2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol has a molecular weight of 274.31 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol is sourced from PubChem (CID 70193274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).