1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol

C10H13ClOS — CID 83148451

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
SMILESCC(C1CC1)C(O)c1sccc1Cl
InChIInChI=1S/C10H13ClOS/c1-6(7-2-3-7)9(12)10-8(11)4-5-13-10/h4-7,9,12H,2-3H2,1H3
InChIKeyZEGBJUUBNNELIS-UHFFFAOYSA-N
MW216.73 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol

1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol (PubChem CID 83148451) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
PubChem CID83148451
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
SMILESCC(C1CC1)C(O)c1sccc1Cl
InChIInChI=1S/C10H13ClOS/c1-6(7-2-3-7)9(12)10-8(11)4-5-13-10/h4-7,9,12H,2-3H2,1H3
InChIKeyZEGBJUUBNNELIS-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol (CID 83148451) is 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol is CC(C1CC1)C(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol?
The InChIKey is ZEGBJUUBNNELIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-6(7-2-3-7)9(12)10-8(11)4-5-13-10/h4-7,9,12H,2-3H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol?
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol has a molecular weight of 216.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 83148451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).