(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol

C18H17FO2 — CID 105079226

IUPAC(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(C)cc(C(O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C18H17FO2/c1-10-6-11(2)8-13(7-10)17(20)18-12(3)15-9-14(19)4-5-16(15)21-18/h4-9,17,20H,1-3H3
InChIKeyLOMNZRACSASURI-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.58
Rot. Bonds2

About (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol

(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol (PubChem CID 105079226) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
PubChem CID105079226
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(C)cc(C(O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C18H17FO2/c1-10-6-11(2)8-13(7-10)17(20)18-12(3)15-9-14(19)4-5-16(15)21-18/h4-9,17,20H,1-3H3
InChIKeyLOMNZRACSASURI-UHFFFAOYSA-N
XLogP4.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
CID 105112954
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
CID 105082433
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(furan-2-yl)ethanol
CID 105122935

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol (CID 105079226) is (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol is Cc1cc(C)cc(C(O)c2oc3ccc(F)cc3c2C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is LOMNZRACSASURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-10-6-11(2)8-13(7-10)17(20)18-12(3)15-9-14(19)4-5-16(15)21-18/h4-9,17,20H,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 284.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 105079226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).