(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol

C16H17FO3 — CID 115838581

IUPAC(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cccc(C)c1F
InChIInChI=1S/C16H17FO3/c1-10-6-4-7-11(15(10)17)16(18)14-12(19-2)8-5-9-13(14)20-3/h4-9,16,18H,1-3H3
InChIKeyCKOIWHHEWWWQCH-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.23
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol

(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol (PubChem CID 115838581) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
PubChem CID115838581
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cccc(C)c1F
InChIInChI=1S/C16H17FO3/c1-10-6-4-7-11(15(10)17)16(18)14-12(19-2)8-5-9-13(14)20-3/h4-9,16,18H,1-3H3
InChIKeyCKOIWHHEWWWQCH-UHFFFAOYSA-N
XLogP3.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103435754
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The IUPAC name of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol (CID 115838581) is (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol is COc1cccc(OC)c1C(O)c1cccc(C)c1F.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The InChIKey is CKOIWHHEWWWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-10-6-4-7-11(15(10)17)16(18)14-12(19-2)8-5-9-13(14)20-3/h4-9,16,18H,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol has a molecular weight of 276.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 115838581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).