(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol

C14H10Cl2O2S — CID 103408290

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2cc3cccc(Cl)c3o2)c1Cl
InChIInChI=1S/C14H10Cl2O2S/c1-7-6-19-14(11(7)16)12(17)10-5-8-3-2-4-9(15)13(8)18-10/h2-6,12,17H,1H3
InChIKeyFPEPXRJZDRKBMV-UHFFFAOYSA-N
MW313.21 g/mol
LogP5.19
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol

(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 103408290) has the molecular formula C14H10Cl2O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
PubChem CID103408290
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.21 g/mol
Exact Mass311.98
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2cc3cccc(Cl)c3o2)c1Cl
InChIInChI=1S/C14H10Cl2O2S/c1-7-6-19-14(11(7)16)12(17)10-5-8-3-2-4-9(15)13(8)18-10/h2-6,12,17H,1H3
InChIKeyFPEPXRJZDRKBMV-UHFFFAOYSA-N
XLogP5.19
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.21
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423
1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723580
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724447
(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 105130440
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(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)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (CID 103408290) is (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is Cc1csc(C(O)c2cc3cccc(Cl)c3o2)c1Cl.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is FPEPXRJZDRKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2S/c1-7-6-19-14(11(7)16)12(17)10-5-8-3-2-4-9(15)13(8)18-10/h2-6,12,17H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 313.21 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 103408290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).