(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol

C18H19FO2 — CID 62325437

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)CC(C)(C)O3)cc1F
InChIInChI=1S/C18H19FO2/c1-11-4-5-13(9-15(11)19)17(20)12-6-7-16-14(8-12)10-18(2,3)21-16/h4-9,17,20H,10H2,1-3H3
InChIKeyLLHDWJAYQYUOIG-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.93
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 62325437) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID62325437
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)CC(C)(C)O3)cc1F
InChIInChI=1S/C18H19FO2/c1-11-4-5-13(9-15(11)19)17(20)12-6-7-16-14(8-12)10-18(2,3)21-16/h4-9,17,20H,10H2,1-3H3
InChIKeyLLHDWJAYQYUOIG-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 62660576
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 79996565
5-[chloro-(3,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447840
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
CID 62326718
(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 106855386
5-[chloro-(3-fluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447349
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 63427339
5-(1-chloro-2,2,2-trifluoroethyl)-2,2-dimethyl-3H-1-benzofuran
CID 55061822
5-[bromo-(2,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447758
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447752

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol (CID 62325437) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc3c(c2)CC(C)(C)O3)cc1F.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is LLHDWJAYQYUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-11-4-5-13(9-15(11)19)17(20)12-6-7-16-14(8-12)10-18(2,3)21-16/h4-9,17,20H,10H2,1-3H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 286.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 62325437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).