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

C17H15FO2 — CID 114727112

IUPAC(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(F)cc(C(O)c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C17H15FO2/c1-10-3-4-15-12(5-10)9-16(20-15)17(19)13-6-11(2)7-14(18)8-13/h3-9,17,19H,1-2H3
InChIKeyLVMBWZFWMJIGMW-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.27
Rot. Bonds2

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

(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114727112) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114727112
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(F)cc(C(O)c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C17H15FO2/c1-10-3-4-15-12(5-10)9-16(20-15)17(19)13-6-11(2)7-14(18)8-13/h3-9,17,19H,1-2H3
InChIKeyLVMBWZFWMJIGMW-UHFFFAOYSA-N
XLogP4.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114727112) is (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1cc(F)cc(C(O)c2cc3cc(C)ccc3o2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is LVMBWZFWMJIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-10-3-4-15-12(5-10)9-16(20-15)17(19)13-6-11(2)7-14(18)8-13/h3-9,17,19H,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 270.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114727112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).