5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol

C14H18O3 — CID 11543196

IUPAC5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC1(COC1)O2
InChIInChI=1S/C14H18O3/c1-8-9(2)13-11(10(3)12(8)15)4-5-14(17-13)6-16-7-14/h15H,4-7H2,1-3H3
InChIKeyQTLJRQIBCJWVAF-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.41
Rot. Bonds

About 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol

5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol (PubChem CID 11543196) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol.

Molecular Properties

Compound Name5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
PubChem CID11543196
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC1(COC1)O2
InChIInChI=1S/C14H18O3/c1-8-9(2)13-11(10(3)12(8)15)4-5-14(17-13)6-16-7-14/h15H,4-7H2,1-3H3
InChIKeyQTLJRQIBCJWVAF-UHFFFAOYSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol?
The IUPAC name of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol (CID 11543196) is 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol.
What is the SMILES notation for 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol?
The canonical SMILES for 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol is Cc1c(C)c2c(c(C)c1O)CCC1(COC1)O2.
What is the InChIKey of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol?
The InChIKey is QTLJRQIBCJWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-9(2)13-11(10(3)12(8)15)4-5-14(17-13)6-16-7-14/h15H,4-7H2,1-3H3.
What are the key properties of 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol?
5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol has a molecular weight of 234.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol is sourced from PubChem (CID 11543196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).