spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol

C15H16O4 — CID 170746212

IUPACspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol
SMILESOC1=CC2=C(CC1)C1=C(C=C(O)CC1)C1(COC1)O2
InChIInChI=1S/C15H16O4/c16-9-1-3-11-12-4-2-10(17)6-14(12)19-15(7-18-8-15)13(11)5-9/h5-6,16-17H,1-4,7-8H2
InChIKeyPZKMGJXJDNTGPZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.81
Rot. Bonds

About spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol

spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol (PubChem CID 170746212) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol.

Molecular Properties

Compound Namespiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol
PubChem CID170746212
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namespiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol
SMILESOC1=CC2=C(CC1)C1=C(C=C(O)CC1)C1(COC1)O2
InChIInChI=1S/C15H16O4/c16-9-1-3-11-12-4-2-10(17)6-14(12)19-15(7-18-8-15)13(11)5-9/h5-6,16-17H,1-4,7-8H2
InChIKeyPZKMGJXJDNTGPZ-UHFFFAOYSA-N
XLogP2.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol
CID 170746181

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol?
The IUPAC name of spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol (CID 170746212) is spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol.
What is the SMILES notation for spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol?
The canonical SMILES for spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol is OC1=CC2=C(CC1)C1=C(C=C(O)CC1)C1(COC1)O2.
What is the InChIKey of spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol?
The InChIKey is PZKMGJXJDNTGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-9-1-3-11-12-4-2-10(17)6-14(12)19-15(7-18-8-15)13(11)5-9/h5-6,16-17H,1-4,7-8H2.
What are the key properties of spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol?
spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol has a molecular weight of 260.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol is sourced from PubChem (CID 170746212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).