(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

C14H11ClO2S2 — CID 104546249

IUPAC(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCOc1ccc(Cl)cc1C(O)c1cc2sccc2s1
InChIInChI=1S/C14H11ClO2S2/c1-17-10-3-2-8(15)6-9(10)14(16)13-7-12-11(19-13)4-5-18-12/h2-7,14,16H,1H3
InChIKeyHXHQEYIHCXNSIR-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.71
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 104546249) has the molecular formula C14H11ClO2S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID104546249
Molecular FormulaC14H11ClO2S2
Molecular Weight310.83 g/mol
Exact Mass309.99
IUPAC Name(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCOc1ccc(Cl)cc1C(O)c1cc2sccc2s1
InChIInChI=1S/C14H11ClO2S2/c1-17-10-3-2-8(15)6-9(10)14(16)13-7-12-11(19-13)4-5-18-12/h2-7,14,16H,1H3
InChIKeyHXHQEYIHCXNSIR-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
5-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80738911
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
5-[bromo-(3,4-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745040
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535475

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 104546249) is (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is COc1ccc(Cl)cc1C(O)c1cc2sccc2s1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is HXHQEYIHCXNSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S2/c1-17-10-3-2-8(15)6-9(10)14(16)13-7-12-11(19-13)4-5-18-12/h2-7,14,16H,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 310.83 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 104546249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).