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

C16H18O4 — CID 170746181

IUPAC8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol
SMILESCOC1=CC2=C(CC1)C1=C(C=C(O)CC1)OC21COC1
InChIInChI=1S/C16H18O4/c1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11/h6-7,17H,2-5,8-9H2,1H3
InChIKeyRMLYLKVMJNNRAX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.90
Rot. Bonds1

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

8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol (PubChem CID 170746181) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol.

Molecular Properties

Compound Name8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol
PubChem CID170746181
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol
SMILESCOC1=CC2=C(CC1)C1=C(C=C(O)CC1)OC21COC1
InChIInChI=1S/C16H18O4/c1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11/h6-7,17H,2-5,8-9H2,1H3
InChIKeyRMLYLKVMJNNRAX-UHFFFAOYSA-N
XLogP2.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

11-[(3-Dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol
CID 167506354
Spiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3,8-diol
CID 170746212

Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol?
The IUPAC name of 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol (CID 170746181) is 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol.
What is the SMILES notation for 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol?
The canonical SMILES for 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol is COC1=CC2=C(CC1)C1=C(C=C(O)CC1)OC21COC1.
What is the InChIKey of 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol?
The InChIKey is RMLYLKVMJNNRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11/h6-7,17H,2-5,8-9H2,1H3.
What are the key properties of 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol?
8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol has a molecular weight of 274.32 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol is sourced from PubChem (CID 170746181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).