[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol

C12H10ClFO2S — CID 112749411

IUPAC[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1OCc1sccc1Cl
InChIInChI=1S/C12H10ClFO2S/c13-9-4-5-17-11(9)7-16-12-8(6-15)2-1-3-10(12)14/h1-5,15H,6-7H2
InChIKeyBBTHWQDTGJPRIK-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.61
Rot. Bonds4

About [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol

[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol (PubChem CID 112749411) has the molecular formula C12H10ClFO2S and a molecular weight of 272.73 g/mol. Its IUPAC name is [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
PubChem CID112749411
Molecular FormulaC12H10ClFO2S
Molecular Weight272.73 g/mol
Exact Mass272.01
IUPAC Name[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1OCc1sccc1Cl
InChIInChI=1S/C12H10ClFO2S/c13-9-4-5-17-11(9)7-16-12-8(6-15)2-1-3-10(12)14/h1-5,15H,6-7H2
InChIKeyBBTHWQDTGJPRIK-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methanol
CID 112613201
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
CID 115956396
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136969257
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 112613013
[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol
CID 102939875

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol (CID 112749411) is [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol is OCc1cccc(F)c1OCc1sccc1Cl.
What is the InChIKey of [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is BBTHWQDTGJPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO2S/c13-9-4-5-17-11(9)7-16-12-8(6-15)2-1-3-10(12)14/h1-5,15H,6-7H2.
What are the key properties of [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol?
[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 272.73 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 112749411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).