1-thiophen-3-ylcyclohexa-2,4-dien-1-ol

C10H10OS — CID 174801358

IUPAC1-thiophen-3-ylcyclohexa-2,4-dien-1-ol
SMILESOC1(c2ccsc2)C=CC=CC1
InChIInChI=1S/C10H10OS/c11-10(5-2-1-3-6-10)9-4-7-12-8-9/h1-5,7-8,11H,6H2
InChIKeyIMZDYSRLJCEMFH-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.45
Rot. Bonds1

About 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol

1-thiophen-3-ylcyclohexa-2,4-dien-1-ol (PubChem CID 174801358) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-thiophen-3-ylcyclohexa-2,4-dien-1-ol
PubChem CID174801358
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name1-thiophen-3-ylcyclohexa-2,4-dien-1-ol
SMILESOC1(c2ccsc2)C=CC=CC1
InChIInChI=1S/C10H10OS/c11-10(5-2-1-3-6-10)9-4-7-12-8-9/h1-5,7-8,11H,6H2
InChIKeyIMZDYSRLJCEMFH-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol (CID 174801358) is 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol is OC1(c2ccsc2)C=CC=CC1.
What is the InChIKey of 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is IMZDYSRLJCEMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c11-10(5-2-1-3-6-10)9-4-7-12-8-9/h1-5,7-8,11H,6H2.
What are the key properties of 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol?
1-thiophen-3-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 178.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174801358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).