3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol

C19H23FO3 — CID 19925875

IUPAC3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol
SMILESOCCC(F)CC(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23FO3/c20-18(11-12-21)13-19(22-14-16-7-3-1-4-8-16)23-15-17-9-5-2-6-10-17/h1-10,18-19,21H,11-15H2
InChIKeyHFPMPCWQURPXBB-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.86
Rot. Bonds10

About 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol

3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol (PubChem CID 19925875) has the molecular formula C19H23FO3 and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol
PubChem CID19925875
Molecular FormulaC19H23FO3
Molecular Weight318.39 g/mol
Exact Mass318.16
IUPAC Name3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol
SMILESOCCC(F)CC(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23FO3/c20-18(11-12-21)13-19(22-14-16-7-3-1-4-8-16)23-15-17-9-5-2-6-10-17/h1-10,18-19,21H,11-15H2
InChIKeyHFPMPCWQURPXBB-UHFFFAOYSA-N
XLogP3.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1,1,5-tris(phenylmethoxy)pentan-3-ol
CID 19925874
3-fluoro-1,5,5-tris(phenylmethoxy)pentan-2-ol
CID 19925871
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
CID 147439182
2-ethoxy-2-phenylmethoxyethanol
CID 57263714
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356
2-fluoro-3-phenylmethoxypropane-1,1,3-triol
CID 71187743

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol?
The IUPAC name of 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol (CID 19925875) is 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol.
What is the SMILES notation for 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol?
The canonical SMILES for 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol is OCCC(F)CC(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol?
The InChIKey is HFPMPCWQURPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO3/c20-18(11-12-21)13-19(22-14-16-7-3-1-4-8-16)23-15-17-9-5-2-6-10-17/h1-10,18-19,21H,11-15H2.
What are the key properties of 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol?
3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol has a molecular weight of 318.39 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol is sourced from PubChem (CID 19925875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).