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

C16H13ClF2O2 — CID 104543117

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Cl)cc3c2OCC3)c(F)cc1F
InChIInChI=1S/C16H13ClF2O2/c1-8-4-11(14(19)7-13(8)18)15(20)12-6-10(17)5-9-2-3-21-16(9)12/h4-7,15,20H,2-3H2,1H3
InChIKeyPZFAAJIYHGDQHC-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.94
Rot. Bonds2

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

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 104543117) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID104543117
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Cl)cc3c2OCC3)c(F)cc1F
InChIInChI=1S/C16H13ClF2O2/c1-8-4-11(14(19)7-13(8)18)15(20)12-6-10(17)5-9-2-3-21-16(9)12/h4-7,15,20H,2-3H2,1H3
InChIKeyPZFAAJIYHGDQHC-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(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)-(2,6-difluorophenyl)methanol
CID 104543072
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
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 104543182
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanol
CID 104543207
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 104543117) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2cc(Cl)cc3c2OCC3)c(F)cc1F.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is PZFAAJIYHGDQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c1-8-4-11(14(19)7-13(8)18)15(20)12-6-10(17)5-9-2-3-21-16(9)12/h4-7,15,20H,2-3H2,1H3.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol has a molecular weight of 310.73 g/mol, XLogP of 3.94, 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)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 104543117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).