[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

C15H12Cl2O2 — CID 129394986

IUPAC[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOC[C@@H]1Cc2cccc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H12Cl2O2/c16-12-5-2-6-13(17)14(12)11-4-1-3-9-7-10(8-18)19-15(9)11/h1-6,10,18H,7-8H2/t10-/m0/s1
InChIKeyUADRXYAREGSTMI-JTQLQIEISA-N
MW295.16 g/mol
LogP3.96
Rot. Bonds2

About [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 129394986) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.16 g/mol. Its IUPAC name is [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID129394986
Molecular FormulaC15H12Cl2O2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOC[C@@H]1Cc2cccc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H12Cl2O2/c16-12-5-2-6-13(17)14(12)11-4-1-3-9-7-10(8-18)19-15(9)11/h1-6,10,18H,7-8H2/t10-/m0/s1
InChIKeyUADRXYAREGSTMI-JTQLQIEISA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 68966680
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 68964315
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
CID 69108274
3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
CID 85204025
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
(2R)-2-(azidomethyl)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepine
CID 86609129
(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25010624

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 129394986) is [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is OC[C@@H]1Cc2cccc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is UADRXYAREGSTMI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-12-5-2-6-13(17)14(12)11-4-1-3-9-7-10(8-18)19-15(9)11/h1-6,10,18H,7-8H2/t10-/m0/s1.
What are the key properties of [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 295.16 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 129394986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).