spiro[benzo[c]chromene-6,3'-oxetane]-3-ol

C15H12O3 — CID 164598173

IUPACspiro[benzo[c]chromene-6,3'-oxetane]-3-ol
SMILESOc1ccc2c(c1)OC1(COC1)c1ccccc1-2
InChIInChI=1S/C15H12O3/c16-10-5-6-12-11-3-1-2-4-13(11)15(8-17-9-15)18-14(12)7-10/h1-7,16H,8-9H2
InChIKeyJRYXFHPAVQMSER-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.68
Rot. Bonds

About spiro[benzo[c]chromene-6,3'-oxetane]-3-ol

spiro[benzo[c]chromene-6,3'-oxetane]-3-ol (PubChem CID 164598173) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is spiro[benzo[c]chromene-6,3'-oxetane]-3-ol.

Molecular Properties

Compound Namespiro[benzo[c]chromene-6,3'-oxetane]-3-ol
PubChem CID164598173
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namespiro[benzo[c]chromene-6,3'-oxetane]-3-ol
SMILESOc1ccc2c(c1)OC1(COC1)c1ccccc1-2
InChIInChI=1S/C15H12O3/c16-10-5-6-12-11-3-1-2-4-13(11)15(8-17-9-15)18-14(12)7-10/h1-7,16H,8-9H2
InChIKeyJRYXFHPAVQMSER-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
The IUPAC name of spiro[benzo[c]chromene-6,3'-oxetane]-3-ol (CID 164598173) is spiro[benzo[c]chromene-6,3'-oxetane]-3-ol.
What is the SMILES notation for spiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
The canonical SMILES for spiro[benzo[c]chromene-6,3'-oxetane]-3-ol is Oc1ccc2c(c1)OC1(COC1)c1ccccc1-2.
What is the InChIKey of spiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
The InChIKey is JRYXFHPAVQMSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-10-5-6-12-11-3-1-2-4-13(11)15(8-17-9-15)18-14(12)7-10/h1-7,16H,8-9H2.
What are the key properties of spiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
spiro[benzo[c]chromene-6,3'-oxetane]-3-ol has a molecular weight of 240.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[benzo[c]chromene-6,3'-oxetane]-3-ol is sourced from PubChem (CID 164598173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).