1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol

C13H13ClO2S — CID 112749404

IUPAC1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCc1sccc1Cl
InChIInChI=1S/C13H13ClO2S/c1-9(15)10-4-2-3-5-12(10)16-8-13-11(14)6-7-17-13/h2-7,9,15H,8H2,1H3
InChIKeyAJZHVNZQJFDOMQ-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol

1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol (PubChem CID 112749404) has the molecular formula C13H13ClO2S and a molecular weight of 268.76 g/mol. Its IUPAC name is 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol
PubChem CID112749404
Molecular FormulaC13H13ClO2S
Molecular Weight268.76 g/mol
Exact Mass268.03
IUPAC Name1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCc1sccc1Cl
InChIInChI=1S/C13H13ClO2S/c1-9(15)10-4-2-3-5-12(10)16-8-13-11(14)6-7-17-13/h2-7,9,15H,8H2,1H3
InChIKeyAJZHVNZQJFDOMQ-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol
CID 112749460
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
CID 78931079
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
(1S)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 78931628

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol (CID 112749404) is 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol is CC(O)c1ccccc1OCc1sccc1Cl.
What is the InChIKey of 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol?
The InChIKey is AJZHVNZQJFDOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-9(15)10-4-2-3-5-12(10)16-8-13-11(14)6-7-17-13/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol?
1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol has a molecular weight of 268.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 112749404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).