(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

C14H10ClFOS2 — CID 81044859

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cc(C(O)c2cc3sccc3s2)c(Cl)cc1F
InChIInChI=1S/C14H10ClFOS2/c1-7-4-8(9(15)5-10(7)16)14(17)13-6-12-11(19-13)2-3-18-12/h2-6,14,17H,1H3
InChIKeyVDABPWMBNKBUEF-UHFFFAOYSA-N
MW312.82 g/mol
LogP5.15
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol

(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 81044859) has the molecular formula C14H10ClFOS2 and a molecular weight of 312.82 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID81044859
Molecular FormulaC14H10ClFOS2
Molecular Weight312.82 g/mol
Exact Mass311.98
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCc1cc(C(O)c2cc3sccc3s2)c(Cl)cc1F
InChIInChI=1S/C14H10ClFOS2/c1-7-4-8(9(15)5-10(7)16)14(17)13-6-12-11(19-13)2-3-18-12/h2-6,14,17H,1H3
InChIKeyVDABPWMBNKBUEF-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745410
5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680
(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 104546249
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744829
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 81045877
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 81044859) is (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is Cc1cc(C(O)c2cc3sccc3s2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is VDABPWMBNKBUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFOS2/c1-7-4-8(9(15)5-10(7)16)14(17)13-6-12-11(19-13)2-3-18-12/h2-6,14,17H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 312.82 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 81044859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).