(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol

C17H16F2O2 — CID 62660576

IUPAC(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cccc(F)c3F)ccc2O1
InChIInChI=1S/C17H16F2O2/c1-17(2)9-11-8-10(6-7-14(11)21-17)16(20)12-4-3-5-13(18)15(12)19/h3-8,16,20H,9H2,1-2H3
InChIKeyYCJDQJXCKCDVPS-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.76
Rot. Bonds2

About (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol

(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (PubChem CID 62660576) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
PubChem CID62660576
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cccc(F)c3F)ccc2O1
InChIInChI=1S/C17H16F2O2/c1-17(2)9-11-8-10(6-7-14(11)21-17)16(20)12-4-3-5-13(18)15(12)19/h3-8,16,20H,9H2,1-2H3
InChIKeyYCJDQJXCKCDVPS-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.76
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)methanamine
CID 62648407
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
CID 62326718
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
CID 62325437
(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 106855386
(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 63427339
5-[chloro-(3-fluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447349
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741
5-[bromo-(2,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447758
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 62326697
5-[chloro-(3,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447840
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
5-[1-bromo-2-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447486

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (CID 62660576) is (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is CC1(C)Cc2cc(C(O)c3cccc(F)c3F)ccc2O1.
What is the InChIKey of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The InChIKey is YCJDQJXCKCDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-17(2)9-11-8-10(6-7-14(11)21-17)16(20)12-4-3-5-13(18)15(12)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol has a molecular weight of 290.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 62660576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).