(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol

C17H17ClO2S — CID 114724447

IUPAC(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc3cccc(Cl)c3o2)s1
InChIInChI=1S/C17H17ClO2S/c1-17(2,3)14-8-7-13(21-14)15(19)12-9-10-5-4-6-11(18)16(10)20-12/h4-9,15,19H,1-3H3
InChIKeyFWZGTZHNJWXCLN-UHFFFAOYSA-N
MW320.84 g/mol
LogP5.53
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol

(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol (PubChem CID 114724447) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
PubChem CID114724447
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc3cccc(Cl)c3o2)s1
InChIInChI=1S/C17H17ClO2S/c1-17(2,3)14-8-7-13(21-14)15(19)12-9-10-5-4-6-11(18)16(10)20-12/h4-9,15,19H,1-3H3
InChIKeyFWZGTZHNJWXCLN-UHFFFAOYSA-N
XLogP5.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.84
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290
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)-(4-ethylthiadiazol-5-yl)methanol
CID 105130440
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(3-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107991317
(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
CID 82771349
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol (CID 114724447) is (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol is CC(C)(C)c1ccc(C(O)c2cc3cccc(Cl)c3o2)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is FWZGTZHNJWXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2S/c1-17(2,3)14-8-7-13(21-14)15(19)12-9-10-5-4-6-11(18)16(10)20-12/h4-9,15,19H,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 320.84 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).