2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]

C16H14OS — CID 59757184

IUPAC2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]
SMILESCc1ccc2c(c1)C1(OCCS1)c1ccccc1-2
InChIInChI=1S/C16H14OS/c1-11-6-7-13-12-4-2-3-5-14(12)16(15(13)10-11)17-8-9-18-16/h2-7,10H,8-9H2,1H3
InChIKeyXJYOYGZXDRVRFR-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.94
Rot. Bonds

About 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]

2'-methylspiro[1,3-oxathiolane-2,9'-fluorene] (PubChem CID 59757184) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene].

Molecular Properties

Compound Name2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]
PubChem CID59757184
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]
SMILESCc1ccc2c(c1)C1(OCCS1)c1ccccc1-2
InChIInChI=1S/C16H14OS/c1-11-6-7-13-12-4-2-3-5-14(12)16(15(13)10-11)17-8-9-18-16/h2-7,10H,8-9H2,1H3
InChIKeyXJYOYGZXDRVRFR-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]?
The IUPAC name of 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene] (CID 59757184) is 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene].
What is the SMILES notation for 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]?
The canonical SMILES for 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene] is Cc1ccc2c(c1)C1(OCCS1)c1ccccc1-2.
What is the InChIKey of 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]?
The InChIKey is XJYOYGZXDRVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-11-6-7-13-12-4-2-3-5-14(12)16(15(13)10-11)17-8-9-18-16/h2-7,10H,8-9H2,1H3.
What are the key properties of 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene]?
2'-methylspiro[1,3-oxathiolane-2,9'-fluorene] has a molecular weight of 254.35 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1,3-oxathiolane-2,9'-fluorene] is sourced from PubChem (CID 59757184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).