6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one

C15H18O5 — CID 155755675

IUPAC6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(OC)c1OCC1CC1)C(=O)CCO2
InChIInChI=1S/C15H18O5/c1-17-12-7-11-13(10(16)5-6-19-11)15(18-2)14(12)20-8-9-3-4-9/h7,9H,3-6,8H2,1-2H3
InChIKeyQQCWREQGJHMPFJ-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.46
Rot. Bonds5

About 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one

6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 155755675) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID155755675
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(OC)c1OCC1CC1)C(=O)CCO2
InChIInChI=1S/C15H18O5/c1-17-12-7-11-13(10(16)5-6-19-11)15(18-2)14(12)20-8-9-3-4-9/h7,9H,3-6,8H2,1-2H3
InChIKeyQQCWREQGJHMPFJ-UHFFFAOYSA-N
XLogP2.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Rotenone
CID 6758
Tangeretin
CID 68077
Hesperetin
CID 72281
Nobiletin
CID 72344
Mangostin
CID 5281650
2,4,5-Trimethoxybenzaldehyde
CID 20525
Deguelin
CID 107935
Hispidulin
CID 5281628
Wogonin
CID 5281703
Oroxylin A
CID 5320315
Eupatilin
CID 5273755
Casticin
CID 5315263

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one (CID 155755675) is 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one is COc1cc2c(c(OC)c1OCC1CC1)C(=O)CCO2.
What is the InChIKey of 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is QQCWREQGJHMPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-17-12-7-11-13(10(16)5-6-19-11)15(18-2)14(12)20-8-9-3-4-9/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 278.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5,7-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 155755675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).