(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol

C15H13F3O2 — CID 82816107

IUPAC(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)ccc(C)c2F)cc1F
InChIInChI=1S/C15H13F3O2/c1-8-3-5-10(16)13(14(8)18)15(19)9-4-6-12(20-2)11(17)7-9/h3-7,15,19H,1-2H3
InChIKeyLMTRVZVZYFEVEM-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.50
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol

(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 82816107) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID82816107
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)ccc(C)c2F)cc1F
InChIInChI=1S/C15H13F3O2/c1-8-3-5-10(16)13(14(8)18)15(19)9-4-6-12(20-2)11(17)7-9/h3-7,15,19H,1-2H3
InChIKeyLMTRVZVZYFEVEM-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941
(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 82799843
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol (CID 82816107) is (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(F)ccc(C)c2F)cc1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is LMTRVZVZYFEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-8-3-5-10(16)13(14(8)18)15(19)9-4-6-12(20-2)11(17)7-9/h3-7,15,19H,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol?
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 282.26 g/mol, XLogP of 3.50, 3 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)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 82816107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).