4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol

C18H14OS — CID 12773634

IUPAC4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol
SMILESCc1ccccc1C1(O)c2ccccc2-c2sccc21
InChIInChI=1S/C18H14OS/c1-12-6-2-4-8-14(12)18(19)15-9-5-3-7-13(15)17-16(18)10-11-20-17/h2-11,19H,1H3
InChIKeyQTHDYTVUWYFBDQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.32
Rot. Bonds1

About 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol

4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol (PubChem CID 12773634) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol
PubChem CID12773634
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol
SMILESCc1ccccc1C1(O)c2ccccc2-c2sccc21
InChIInChI=1S/C18H14OS/c1-12-6-2-4-8-14(12)18(19)15-9-5-3-7-13(15)17-16(18)10-11-20-17/h2-11,19H,1H3
InChIKeyQTHDYTVUWYFBDQ-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol?
The IUPAC name of 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol (CID 12773634) is 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol.
What is the SMILES notation for 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol?
The canonical SMILES for 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol is Cc1ccccc1C1(O)c2ccccc2-c2sccc21.
What is the InChIKey of 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol?
The InChIKey is QTHDYTVUWYFBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-12-6-2-4-8-14(12)18(19)15-9-5-3-7-13(15)17-16(18)10-11-20-17/h2-11,19H,1H3.
What are the key properties of 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol?
4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol has a molecular weight of 278.38 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)indeno[1,2-b]thiophen-4-ol is sourced from PubChem (CID 12773634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).