1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol

C16H13F3O2 — CID 63019025

IUPAC1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13F3O2/c17-16(18,19)14-5-3-10(4-6-14)15(20)11-1-2-12-8-21-9-13(12)7-11/h1-7,15,20H,8-9H2
InChIKeyKFLASHHJFFJKER-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.82
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol

1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 63019025) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID63019025
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13F3O2/c17-16(18,19)14-5-3-10(4-6-14)15(20)11-1-2-12-8-21-9-13(12)7-11/h1-7,15,20H,8-9H2
InChIKeyKFLASHHJFFJKER-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol (CID 63019025) is 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is KFLASHHJFFJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)14-5-3-10(4-6-14)15(20)11-1-2-12-8-21-9-13(12)7-11/h1-7,15,20H,8-9H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol?
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 294.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63019025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).