(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol

C13H17FO2 — CID 82838250

IUPAC(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCC(C)O1
InChIInChI=1S/C13H17FO2/c1-8-7-10(14)4-5-11(8)13(15)12-6-3-9(2)16-12/h4-5,7,9,12-13,15H,3,6H2,1-2H3
InChIKeyLBWCXPQMCVWWIY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.74
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol

(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol (PubChem CID 82838250) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol
PubChem CID82838250
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCC(C)O1
InChIInChI=1S/C13H17FO2/c1-8-7-10(14)4-5-11(8)13(15)12-6-3-9(2)16-12/h4-5,7,9,12-13,15H,3,6H2,1-2H3
InChIKeyLBWCXPQMCVWWIY-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 82838357
2-(4-fluoro-2-methylphenyl)-1-(5-methyloxolan-2-yl)ethanol
CID 114347006
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
(3-fluoro-5-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82837227
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol
CID 79087688
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(5-methyloxolan-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81330190
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol?
The IUPAC name of (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol (CID 82838250) is (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol is Cc1cc(F)ccc1C(O)C1CCC(C)O1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol?
The InChIKey is LBWCXPQMCVWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-8-7-10(14)4-5-11(8)13(15)12-6-3-9(2)16-12/h4-5,7,9,12-13,15H,3,6H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol?
(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol has a molecular weight of 224.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 82838250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).