3',3',4'-trimethylspiro[fluorene-9,2'-furan]

C19H18O — CID 122487737

IUPAC3',3',4'-trimethylspiro[fluorene-9,2'-furan]
SMILESCC1=COC2(c3ccccc3-c3ccccc32)C1(C)C
InChIInChI=1S/C19H18O/c1-13-12-20-19(18(13,2)3)16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-12H,1-3H3
InChIKeyWEDHNHXZJFRZIJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.87
Rot. Bonds

About 3',3',4'-trimethylspiro[fluorene-9,2'-furan]

3',3',4'-trimethylspiro[fluorene-9,2'-furan] (PubChem CID 122487737) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3',3',4'-trimethylspiro[fluorene-9,2'-furan].

Molecular Properties

Compound Name3',3',4'-trimethylspiro[fluorene-9,2'-furan]
PubChem CID122487737
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3',3',4'-trimethylspiro[fluorene-9,2'-furan]
SMILESCC1=COC2(c3ccccc3-c3ccccc32)C1(C)C
InChIInChI=1S/C19H18O/c1-13-12-20-19(18(13,2)3)16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-12H,1-3H3
InChIKeyWEDHNHXZJFRZIJ-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3',3',4'-trimethylspiro[fluorene-9,2'-furan] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3',3',4'-trimethylspiro[fluorene-9,2'-furan]?
The IUPAC name of 3',3',4'-trimethylspiro[fluorene-9,2'-furan] (CID 122487737) is 3',3',4'-trimethylspiro[fluorene-9,2'-furan].
What is the SMILES notation for 3',3',4'-trimethylspiro[fluorene-9,2'-furan]?
The canonical SMILES for 3',3',4'-trimethylspiro[fluorene-9,2'-furan] is CC1=COC2(c3ccccc3-c3ccccc32)C1(C)C.
What is the InChIKey of 3',3',4'-trimethylspiro[fluorene-9,2'-furan]?
The InChIKey is WEDHNHXZJFRZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-13-12-20-19(18(13,2)3)16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-12H,1-3H3.
What are the key properties of 3',3',4'-trimethylspiro[fluorene-9,2'-furan]?
3',3',4'-trimethylspiro[fluorene-9,2'-furan] has a molecular weight of 262.35 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3',4'-trimethylspiro[fluorene-9,2'-furan] is sourced from PubChem (CID 122487737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).