3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol

C13H17FO3 — CID 59568801

IUPAC3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)CCC2OCCO2)ccc1F
InChIInChI=1S/C13H17FO3/c1-9-8-10(2-3-11(9)14)12(15)4-5-13-16-6-7-17-13/h2-3,8,12-13,15H,4-7H2,1H3
InChIKeySPNXBHAVMOEDNB-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.32
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol

3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 59568801) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
PubChem CID59568801
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)CCC2OCCO2)ccc1F
InChIInChI=1S/C13H17FO3/c1-9-8-10(2-3-11(9)14)12(15)4-5-13-16-6-7-17-13/h2-3,8,12-13,15H,4-7H2,1H3
InChIKeySPNXBHAVMOEDNB-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Diethoxy-1-phenylethanol
CID 344143
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 15232681
(2R,3R,4S,5S)-4-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 11832029
[(2R,3R,4S,5R)-3-fluoro-5-methoxy-4-phenylmethoxyoxolan-2-yl]methanol
CID 13941341
4,4-Diethoxy-1-phenyl-but-2-yn-1-ol
CID 10889848
1-(3,4-Difluorophenyl)-2,2-dimethoxyethan-1-ol
CID 65987281
(2S,3S,4S,5R)-4-fluoro-5-(1-hydroxy-2-phenylethyl)-2-methoxyoxolan-3-ol
CID 91529638
2-(1,3-Dioxolan-2-yl)-1-(3-fluorophenyl)ethanol
CID 103547362
2-(1,3-Dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 103547447
(1S)-1-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2,2-difluorobut-3-en-1-ol
CID 134855113
(1R)-1-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2,2-difluorobut-3-en-1-ol
CID 134855139
(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane
CID 134985821

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol (CID 59568801) is 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol is Cc1cc(C(O)CCC2OCCO2)ccc1F.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is SPNXBHAVMOEDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9-8-10(2-3-11(9)14)12(15)4-5-13-16-6-7-17-13/h2-3,8,12-13,15H,4-7H2,1H3.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 59568801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).