(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol

C13H17FO2 — CID 63899537

IUPAC(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
SMILESCc1ccc(F)cc1C(O)C1CCCOC1
InChIInChI=1S/C13H17FO2/c1-9-4-5-11(14)7-12(9)13(15)10-3-2-6-16-8-10/h4-5,7,10,13,15H,2-3,6,8H2,1H3
InChIKeyVACIVGKLDQLTET-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.59
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol

(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol (PubChem CID 63899537) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
PubChem CID63899537
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
SMILESCc1ccc(F)cc1C(O)C1CCCOC1
InChIInChI=1S/C13H17FO2/c1-9-4-5-11(14)7-12(9)13(15)10-3-2-6-16-8-10/h4-5,7,10,13,15H,2-3,6,8H2,1H3
InChIKeyVACIVGKLDQLTET-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol (CID 63899537) is (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol is Cc1ccc(F)cc1C(O)C1CCCOC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol?
The InChIKey is VACIVGKLDQLTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-4-5-11(14)7-12(9)13(15)10-3-2-6-16-8-10/h4-5,7,10,13,15H,2-3,6,8H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol?
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol has a molecular weight of 224.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63899537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).