(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol

C12H9Cl2FO2S — CID 81284207

IUPAC(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Cl)sc2Cl)ccc1F
InChIInChI=1S/C12H9Cl2FO2S/c1-17-9-4-6(2-3-8(9)15)11(16)7-5-10(13)18-12(7)14/h2-5,11,16H,1H3
InChIKeyXSCMBNUZVYXVDA-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.28
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol

(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 81284207) has the molecular formula C12H9Cl2FO2S and a molecular weight of 307.17 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID81284207
Molecular FormulaC12H9Cl2FO2S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Cl)sc2Cl)ccc1F
InChIInChI=1S/C12H9Cl2FO2S/c1-17-9-4-6(2-3-8(9)15)11(16)7-5-10(13)18-12(7)14/h2-5,11,16H,1H3
InChIKeyXSCMBNUZVYXVDA-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 81284648
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol (CID 81284207) is (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2cc(Cl)sc2Cl)ccc1F.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is XSCMBNUZVYXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FO2S/c1-17-9-4-6(2-3-8(9)15)11(16)7-5-10(13)18-12(7)14/h2-5,11,16H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol?
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 307.17 g/mol, XLogP of 4.28, 3 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)-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 81284207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).