1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol

C12H15ClOS — CID 115785978

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)s1)C1CC2CC2C1
InChIInChI=1S/C12H15ClOS/c13-12-2-1-10(15-12)6-11(14)9-4-7-3-8(7)5-9/h1-2,7-9,11,14H,3-6H2
InChIKeyUQELNQNXCKXRFA-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.35
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol

1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol (PubChem CID 115785978) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol
PubChem CID115785978
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)s1)C1CC2CC2C1
InChIInChI=1S/C12H15ClOS/c13-12-2-1-10(15-12)6-11(14)9-4-7-3-8(7)5-9/h1-2,7-9,11,14H,3-6H2
InChIKeyUQELNQNXCKXRFA-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115785914
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967512
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 79074352
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451627
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
CID 79982846
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol (CID 115785978) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol is OC(Cc1ccc(Cl)s1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is UQELNQNXCKXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c13-12-2-1-10(15-12)6-11(14)9-4-7-3-8(7)5-9/h1-2,7-9,11,14H,3-6H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol?
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 242.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 115785978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).