(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol

C16H14ClFO2 — CID 104543145

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)cc3c2OCC3)c(F)c1
InChIInChI=1S/C16H14ClFO2/c1-9-2-3-12(14(18)6-9)15(19)13-8-11(17)7-10-4-5-20-16(10)13/h2-3,6-8,15,19H,4-5H2,1H3
InChIKeyGPFGIWLQSNWZNK-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.80
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol (PubChem CID 104543145) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
PubChem CID104543145
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)cc3c2OCC3)c(F)c1
InChIInChI=1S/C16H14ClFO2/c1-9-2-3-12(14(18)6-9)15(19)13-8-11(17)7-10-4-5-20-16(10)13/h2-3,6-8,15,19H,4-5H2,1H3
InChIKeyGPFGIWLQSNWZNK-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol (CID 104543145) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc(Cl)cc3c2OCC3)c(F)c1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol?
The InChIKey is GPFGIWLQSNWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-2-3-12(14(18)6-9)15(19)13-8-11(17)7-10-4-5-20-16(10)13/h2-3,6-8,15,19H,4-5H2,1H3.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol has a molecular weight of 292.74 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 104543145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).