(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol

C15H13F3O3 — CID 61089367

IUPAC(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)cc(F)cc2F)c(OC)c1
InChIInChI=1S/C15H13F3O3/c1-20-9-3-4-10(13(7-9)21-2)15(19)14-11(17)5-8(16)6-12(14)18/h3-7,15,19H,1-2H3
InChIKeyCAXDYEKBMBZHHA-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.20
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol

(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 61089367) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID61089367
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)cc(F)cc2F)c(OC)c1
InChIInChI=1S/C15H13F3O3/c1-20-9-3-4-10(13(7-9)21-2)15(19)14-11(17)5-8(16)6-12(14)18/h3-7,15,19H,1-2H3
InChIKeyCAXDYEKBMBZHHA-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(2,4-dimethoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877206
(2-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266
(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol (CID 61089367) is (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol is COc1ccc(C(O)c2c(F)cc(F)cc2F)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is CAXDYEKBMBZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c1-20-9-3-4-10(13(7-9)21-2)15(19)14-11(17)5-8(16)6-12(14)18/h3-7,15,19H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol?
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 298.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61089367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).