5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol

C15H20O3 — CID 69055305

IUPAC5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
SMILESCc1c(C)c2c(c(C)c1O)C(O)CC1(CCC1)O2
InChIInChI=1S/C15H20O3/c1-8-9(2)14-12(10(3)13(8)17)11(16)7-15(18-14)5-4-6-15/h11,16-17H,4-7H2,1-3H3
InChIKeyNGCHQTKHVCBDOJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.06
Rot. Bonds

About 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol

5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol (PubChem CID 69055305) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol.

Molecular Properties

Compound Name5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
PubChem CID69055305
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
SMILESCc1c(C)c2c(c(C)c1O)C(O)CC1(CCC1)O2
InChIInChI=1S/C15H20O3/c1-8-9(2)14-12(10(3)13(8)17)11(16)7-15(18-14)5-4-6-15/h11,16-17H,4-7H2,1-3H3
InChIKeyNGCHQTKHVCBDOJ-UHFFFAOYSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol?
The IUPAC name of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol (CID 69055305) is 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol.
What is the SMILES notation for 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol?
The canonical SMILES for 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol is Cc1c(C)c2c(c(C)c1O)C(O)CC1(CCC1)O2.
What is the InChIKey of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol?
The InChIKey is NGCHQTKHVCBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-9(2)14-12(10(3)13(8)17)11(16)7-15(18-14)5-4-6-15/h11,16-17H,4-7H2,1-3H3.
What are the key properties of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol?
5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol has a molecular weight of 248.32 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol is sourced from PubChem (CID 69055305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).