1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol

C16H13FO2 — CID 107128161

IUPAC1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2coc3ccccc23)cc1F
InChIInChI=1S/C16H13FO2/c1-10-6-7-11(8-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-9,16,18H,1H3
InChIKeyPYPWUPZNAGQQFN-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.96
Rot. Bonds2

About 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol

1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol (PubChem CID 107128161) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol
PubChem CID107128161
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2coc3ccccc23)cc1F
InChIInChI=1S/C16H13FO2/c1-10-6-7-11(8-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-9,16,18H,1H3
InChIKeyPYPWUPZNAGQQFN-UHFFFAOYSA-N
XLogP3.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
CID 79592562
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(R)-1-benzofuran-3-yl(thiophen-3-yl)methanol
CID 155933737
3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
CID 102296183
(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114601272
(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol (CID 107128161) is 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2coc3ccccc23)cc1F.
What is the InChIKey of 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is PYPWUPZNAGQQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-10-6-7-11(8-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-9,16,18H,1H3.
What are the key properties of 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol?
1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 256.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107128161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).