7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one

C15H18O4 — CID 114672414

IUPAC7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
SMILESCOc1ccc2c(c1)OC1(CCCOCC1)CC2=O
InChIInChI=1S/C15H18O4/c1-17-11-3-4-12-13(16)10-15(19-14(12)9-11)5-2-7-18-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyRMCHSDXLROAMJG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.60
Rot. Bonds1

About 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one

7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one (PubChem CID 114672414) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one.

Molecular Properties

Compound Name7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
PubChem CID114672414
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
SMILESCOc1ccc2c(c1)OC1(CCCOCC1)CC2=O
InChIInChI=1S/C15H18O4/c1-17-11-3-4-12-13(16)10-15(19-14(12)9-11)5-2-7-18-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyRMCHSDXLROAMJG-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one?
The IUPAC name of 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one (CID 114672414) is 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one.
What is the SMILES notation for 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one?
The canonical SMILES for 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one is COc1ccc2c(c1)OC1(CCCOCC1)CC2=O.
What is the InChIKey of 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one?
The InChIKey is RMCHSDXLROAMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-17-11-3-4-12-13(16)10-15(19-14(12)9-11)5-2-7-18-8-6-15/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one?
7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one has a molecular weight of 262.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one is sourced from PubChem (CID 114672414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).