(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol

C13H16F2O2 — CID 107512213

IUPAC(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
SMILESCc1ccc(C(O)C2CCCOC2)c(F)c1F
InChIInChI=1S/C13H16F2O2/c1-8-4-5-10(12(15)11(8)14)13(16)9-3-2-6-17-7-9/h4-5,9,13,16H,2-3,6-7H2,1H3
InChIKeyHBYONSCLISDOQC-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.73
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol

(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol (PubChem CID 107512213) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
PubChem CID107512213
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
SMILESCc1ccc(C(O)C2CCCOC2)c(F)c1F
InChIInChI=1S/C13H16F2O2/c1-8-4-5-10(12(15)11(8)14)13(16)9-3-2-6-17-7-9/h4-5,9,13,16H,2-3,6-7H2,1H3
InChIKeyHBYONSCLISDOQC-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,3-difluoro-4-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-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
CID 105482980
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol (CID 107512213) is (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol is Cc1ccc(C(O)C2CCCOC2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol?
The InChIKey is HBYONSCLISDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-8-4-5-10(12(15)11(8)14)13(16)9-3-2-6-17-7-9/h4-5,9,13,16H,2-3,6-7H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol?
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol has a molecular weight of 242.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107512213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).