(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol

C18H15FO2 — CID 114724257

IUPAC(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cccc(C2CC2)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H15FO2/c19-15-6-7-16-14(9-15)10-17(21-16)18(20)13-3-1-2-12(8-13)11-4-5-11/h1-3,6-11,18,20H,4-5H2
InChIKeyOCVVIOUQRYHCGD-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.53
Rot. Bonds3

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

(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114724257) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114724257
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cccc(C2CC2)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H15FO2/c19-15-6-7-16-14(9-15)10-17(21-16)18(20)13-3-1-2-12(8-13)11-4-5-11/h1-3,6-11,18,20H,4-5H2
InChIKeyOCVVIOUQRYHCGD-UHFFFAOYSA-N
XLogP4.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 114724257) is (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cccc(C2CC2)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is OCVVIOUQRYHCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c19-15-6-7-16-14(9-15)10-17(21-16)18(20)13-3-1-2-12(8-13)11-4-5-11/h1-3,6-11,18,20H,4-5H2.
What are the key properties of (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 282.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).