(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol

C16H17FO3 — CID 116809700

IUPAC(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17FO3/c1-10-7-8-11(9-12(10)17)16(18)15-13(19-2)5-4-6-14(15)20-3/h4-9,16,18H,1-3H3
InChIKeyIMDOBAISQLPPPJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.23
Rot. Bonds4

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

(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 116809700) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID116809700
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17FO3/c1-10-7-8-11(9-12(10)17)16(18)15-13(19-2)5-4-6-14(15)20-3/h4-9,16,18H,1-3H3
InChIKeyIMDOBAISQLPPPJ-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-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082454
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901
2,3-dihydro-1H-inden-5-yl-(2-fluoro-6-methoxyphenyl)methanol
CID 65434633

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol (CID 116809700) is (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol is COc1cccc(OC)c1C(O)c1ccc(C)c(F)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is IMDOBAISQLPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-10-7-8-11(9-12(10)17)16(18)15-13(19-2)5-4-6-14(15)20-3/h4-9,16,18H,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol?
(2,6-dimethoxyphenyl)-(3-fluoro-4-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)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 116809700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).