2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol

C10H13ClOS — CID 127008956

IUPAC2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1csc(Cl)c1
InChIInChI=1S/C10H13ClOS/c1-6-2-8(6)9(12)3-7-4-10(11)13-5-7/h4-6,8-9,12H,2-3H2,1H3
InChIKeyUDDICAJVEZCJEN-UHFFFAOYSA-N
MW216.73 g/mol
LogP2.96
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol

2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol (PubChem CID 127008956) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol
PubChem CID127008956
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1csc(Cl)c1
InChIInChI=1S/C10H13ClOS/c1-6-2-8(6)9(12)3-7-4-10(11)13-5-7/h4-6,8-9,12H,2-3H2,1H3
InChIKeyUDDICAJVEZCJEN-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol (CID 127008956) is 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol is CC1CC1C(O)Cc1csc(Cl)c1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol?
The InChIKey is UDDICAJVEZCJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-6-2-8(6)9(12)3-7-4-10(11)13-5-7/h4-6,8-9,12H,2-3H2,1H3.
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol?
2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol has a molecular weight of 216.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol is sourced from PubChem (CID 127008956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).