(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol

C9H6Cl2O2S — CID 61081034

IUPAC(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H6Cl2O2S/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h1-4,8,12H
InChIKeyUKNBMAWLTVVVNR-UHFFFAOYSA-N
MW249.12 g/mol
LogP3.73
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol

(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol (PubChem CID 61081034) has the molecular formula C9H6Cl2O2S and a molecular weight of 249.12 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
PubChem CID61081034
Molecular FormulaC9H6Cl2O2S
Molecular Weight249.12 g/mol
Exact Mass247.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H6Cl2O2S/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h1-4,8,12H
InChIKeyUKNBMAWLTVVVNR-UHFFFAOYSA-N
XLogP3.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
CID 61087975
(4-chloro-3-methylphenyl)-(furan-3-yl)methanol
CID 91636310
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
CID 80532151
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
CID 61081789
(5-chloro-2-methoxyphenyl)-(furan-3-yl)methanol
CID 63894957
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969581
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol (CID 61081034) is (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol is OC(c1ccoc1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol?
The InChIKey is UKNBMAWLTVVVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O2S/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h1-4,8,12H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol has a molecular weight of 249.12 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol is sourced from PubChem (CID 61081034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).