3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol

C11H13ClOS — CID 65176939

IUPAC3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H13ClOS/c12-11-5-4-10(14-11)7-8-2-1-3-9(13)6-8/h4-6,9,13H,1-3,7H2
InChIKeySFSGSNGTBPUKHP-UHFFFAOYSA-N
MW228.74 g/mol
LogP3.42
Rot. Bonds2

About 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol

3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol (PubChem CID 65176939) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol
PubChem CID65176939
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H13ClOS/c12-11-5-4-10(14-11)7-8-2-1-3-9(13)6-8/h4-6,9,13H,1-3,7H2
InChIKeySFSGSNGTBPUKHP-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
CID 102676588
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578
N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
CID 106043235
4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol
CID 83190039
3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
CID 107383609
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
CID 81010342
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81009812
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol (CID 65176939) is 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol is OC1C=C(Cc2ccc(Cl)s2)CCC1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol?
The InChIKey is SFSGSNGTBPUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c12-11-5-4-10(14-11)7-8-2-1-3-9(13)6-8/h4-6,9,13H,1-3,7H2.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol?
3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol has a molecular weight of 228.74 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 65176939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).