(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol

C15H8ClF3O2 — CID 114723619

IUPAC(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H8ClF3O2/c16-9-3-1-2-7-6-12(21-15(7)9)14(20)8-4-10(17)13(19)11(18)5-8/h1-6,14,20H
InChIKeyXZMYQAMWCVIECI-UHFFFAOYSA-N
MW312.67 g/mol
LogP4.59
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol

(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 114723619) has the molecular formula C15H8ClF3O2 and a molecular weight of 312.67 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
PubChem CID114723619
Molecular FormulaC15H8ClF3O2
Molecular Weight312.67 g/mol
Exact Mass312.02
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H8ClF3O2/c16-9-3-1-2-7-6-12(21-15(7)9)14(20)8-4-10(17)13(19)11(18)5-8/h1-6,14,20H
InChIKeyXZMYQAMWCVIECI-UHFFFAOYSA-N
XLogP4.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
CID 114724261
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol (CID 114723619) is (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)c(F)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is XZMYQAMWCVIECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3O2/c16-9-3-1-2-7-6-12(21-15(7)9)14(20)8-4-10(17)13(19)11(18)5-8/h1-6,14,20H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 312.67 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 114723619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).