(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol

C17H18F2O2 — CID 82799843

IUPAC(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
SMILESCOCCc1ccc(C(O)c2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C17H18F2O2/c1-11-3-8-14(18)15(16(11)19)17(20)13-6-4-12(5-7-13)9-10-21-2/h3-8,17,20H,9-10H2,1-2H3
InChIKeyVCERXCZEDJSXIB-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.54
Rot. Bonds5

About (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol

(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol (PubChem CID 82799843) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
PubChem CID82799843
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
SMILESCOCCc1ccc(C(O)c2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C17H18F2O2/c1-11-3-8-14(18)15(16(11)19)17(20)13-6-4-12(5-7-13)9-10-21-2/h3-8,17,20H,9-10H2,1-2H3
InChIKeyVCERXCZEDJSXIB-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1,3-difluoro-4-methylbenzene
CID 82799024
(3,4-difluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099736
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099907
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(2-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099399
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836226
(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82819234
(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099046
2,2-difluoro-1-[4-(2-methoxyethyl)phenyl]ethanol
CID 104632700

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol (CID 82799843) is (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol is COCCc1ccc(C(O)c2c(F)ccc(C)c2F)cc1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol?
The InChIKey is VCERXCZEDJSXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-11-3-8-14(18)15(16(11)19)17(20)13-6-4-12(5-7-13)9-10-21-2/h3-8,17,20H,9-10H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol?
(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol has a molecular weight of 292.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol is sourced from PubChem (CID 82799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).