(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol

C15H9Cl3O2 — CID 3068791

IUPAC(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C15H9Cl3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7,14,19H
InChIKeyIJPZZRUJQUFAAM-UHFFFAOYSA-N
MW327.59 g/mol
LogP5.47
Rot. Bonds2

About (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol

(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol (PubChem CID 3068791) has the molecular formula C15H9Cl3O2 and a molecular weight of 327.59 g/mol. Its IUPAC name is (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol
PubChem CID3068791
Molecular FormulaC15H9Cl3O2
Molecular Weight327.59 g/mol
Exact Mass325.97
IUPAC Name(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C15H9Cl3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7,14,19H
InChIKeyIJPZZRUJQUFAAM-UHFFFAOYSA-N
XLogP5.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.59
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,8-Trichlorodibenzofuran
CID 41131
2,4,7-Trichlorodibenzofuran
CID 55122
Clobenfurol
CID 71132
2-Benzofuranmethanol, alpha-(4-chlorophenyl)-3-methyl-
CID 54836
(1-Benzofuran-2-yl)(2-chlorophenyl)methanol
CID 60669
1-(1-Benzofuran-2-yl)-1-(4-chlorophenyl)-2-phenylethan-1-ol
CID 198600
1-(1-Benzofuran-2-yl)-1-(4-chlorophenyl)ethan-1-ol
CID 3067857
(4-Chlorophenyl)(7-methoxy-1-benzofuran-2-yl)methanol
CID 3067863
4-(7-Chloro-1-benzofuran-2-yl)phenol
CID 114735973
3-Phenyl-5,7-dichloro-benzofuran
CID 621779
5,7-Dichloro-2-(4-methoxy-phenyl)-benzofuran
CID 10125487
5,7-Dichloro-2-phenyl-1-benzofuran
CID 13284264

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol (CID 3068791) is (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol is OC(c1ccc(Cl)cc1)c1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol?
The InChIKey is IJPZZRUJQUFAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7,14,19H.
What are the key properties of (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol?
(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol has a molecular weight of 327.59 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 3068791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).