(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol

C13H17FO3 — CID 79763340

IUPAC(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1ccc(F)cc1C(O)C1CCOC1C
InChIInChI=1S/C13H17FO3/c1-8-10(5-6-17-8)13(15)11-7-9(14)3-4-12(11)16-2/h3-4,7-8,10,13,15H,5-6H2,1-2H3
InChIKeyKBUWEPDBCQIJHT-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.29
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol

(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol (PubChem CID 79763340) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
PubChem CID79763340
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1ccc(F)cc1C(O)C1CCOC1C
InChIInChI=1S/C13H17FO3/c1-8-10(5-6-17-8)13(15)11-7-9(14)3-4-12(11)16-2/h3-4,7-8,10,13,15H,5-6H2,1-2H3
InChIKeyKBUWEPDBCQIJHT-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(2-ethoxy-5-methylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762889
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 79763064
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
(4-bromo-2,5-difluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 79763696
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(2,4-dimethylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762886

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol (CID 79763340) is (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol is COc1ccc(F)cc1C(O)C1CCOC1C.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is KBUWEPDBCQIJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-8-10(5-6-17-8)13(15)11-7-9(14)3-4-12(11)16-2/h3-4,7-8,10,13,15H,5-6H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 240.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 79763340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).