7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one

C15H18O4 — CID 114672486

IUPAC7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(C1CCCOC1)CC2=O
InChIInChI=1S/C15H18O4/c1-17-11-4-5-12-13(16)8-14(19-15(12)7-11)10-3-2-6-18-9-10/h4-5,7,10,14H,2-3,6,8-9H2,1H3
InChIKeyOHJGRTSJBGWDMD-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.46
Rot. Bonds2

About 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one

7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one (PubChem CID 114672486) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one
PubChem CID114672486
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(C1CCCOC1)CC2=O
InChIInChI=1S/C15H18O4/c1-17-11-4-5-12-13(16)8-14(19-15(12)7-11)10-3-2-6-18-9-10/h4-5,7,10,14H,2-3,6,8-9H2,1H3
InChIKeyOHJGRTSJBGWDMD-UHFFFAOYSA-N
XLogP2.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one (CID 114672486) is 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(C1CCCOC1)CC2=O.
What is the InChIKey of 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one?
The InChIKey is OHJGRTSJBGWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-17-11-4-5-12-13(16)8-14(19-15(12)7-11)10-3-2-6-18-9-10/h4-5,7,10,14H,2-3,6,8-9H2,1H3.
What are the key properties of 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one?
7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one has a molecular weight of 262.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).