thiophen-2-yl(9H-xanthen-9-yl)methanol

C18H14O2S — CID 135077470

IUPACthiophen-2-yl(9H-xanthen-9-yl)methanol
SMILESOC(c1cccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H14O2S/c19-18(16-10-5-11-21-16)17-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)17/h1-11,17-19H
InChIKeyIXZXERHHQVHEQV-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.72
Rot. Bonds2

About thiophen-2-yl(9H-xanthen-9-yl)methanol

thiophen-2-yl(9H-xanthen-9-yl)methanol (PubChem CID 135077470) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is thiophen-2-yl(9H-xanthen-9-yl)methanol.

Molecular Properties

Compound Namethiophen-2-yl(9H-xanthen-9-yl)methanol
PubChem CID135077470
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Namethiophen-2-yl(9H-xanthen-9-yl)methanol
SMILESOC(c1cccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H14O2S/c19-18(16-10-5-11-21-16)17-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)17/h1-11,17-19H
InChIKeyIXZXERHHQVHEQV-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl(9H-xanthen-9-yl)methanol?
The IUPAC name of thiophen-2-yl(9H-xanthen-9-yl)methanol (CID 135077470) is thiophen-2-yl(9H-xanthen-9-yl)methanol.
What is the SMILES notation for thiophen-2-yl(9H-xanthen-9-yl)methanol?
The canonical SMILES for thiophen-2-yl(9H-xanthen-9-yl)methanol is OC(c1cccs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of thiophen-2-yl(9H-xanthen-9-yl)methanol?
The InChIKey is IXZXERHHQVHEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-18(16-10-5-11-21-16)17-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)17/h1-11,17-19H.
What are the key properties of thiophen-2-yl(9H-xanthen-9-yl)methanol?
thiophen-2-yl(9H-xanthen-9-yl)methanol has a molecular weight of 294.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl(9H-xanthen-9-yl)methanol is sourced from PubChem (CID 135077470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).