(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol

C14H19FO2 — CID 65296637

IUPAC(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
SMILESCc1cc(C(O)C2CCCCO2)cc(C)c1F
InChIInChI=1S/C14H19FO2/c1-9-7-11(8-10(2)13(9)15)14(16)12-5-3-4-6-17-12/h7-8,12,14,16H,3-6H2,1-2H3
InChIKeyUSZAQWYRAKWJQF-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.05
Rot. Bonds2

About (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol

(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol (PubChem CID 65296637) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
PubChem CID65296637
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
SMILESCc1cc(C(O)C2CCCCO2)cc(C)c1F
InChIInChI=1S/C14H19FO2/c1-9-7-11(8-10(2)13(9)15)14(16)12-5-3-4-6-17-12/h7-8,12,14,16H,3-6H2,1-2H3
InChIKeyUSZAQWYRAKWJQF-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
(2,5-dibromo-4-methylphenyl)-(oxan-2-yl)methanol
CID 81474176
oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172745
furan-3-yl(oxan-2-yl)methanol
CID 115797283
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol (CID 65296637) is (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol is Cc1cc(C(O)C2CCCCO2)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol?
The InChIKey is USZAQWYRAKWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-9-7-11(8-10(2)13(9)15)14(16)12-5-3-4-6-17-12/h7-8,12,14,16H,3-6H2,1-2H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol?
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol has a molecular weight of 238.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol is sourced from PubChem (CID 65296637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).