1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol

C11H12OS — CID 67883839

IUPAC1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(Cc2ccsc2)C=CC=CC1
InChIInChI=1S/C11H12OS/c12-11(5-2-1-3-6-11)8-10-4-7-13-9-10/h1-5,7,9,12H,6,8H2
InChIKeyCEIJZRMFUWOVBH-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.54
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol

1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67883839) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol
PubChem CID67883839
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(Cc2ccsc2)C=CC=CC1
InChIInChI=1S/C11H12OS/c12-11(5-2-1-3-6-11)8-10-4-7-13-9-10/h1-5,7,9,12H,6,8H2
InChIKeyCEIJZRMFUWOVBH-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol (CID 67883839) is 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol is OC1(Cc2ccsc2)C=CC=CC1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is CEIJZRMFUWOVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-11(5-2-1-3-6-11)8-10-4-7-13-9-10/h1-5,7,9,12H,6,8H2.
What are the key properties of 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol?
1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 192.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67883839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).