6-methoxy-7-methyl-2,3-dihydrochromen-4-one

C11H12O3 — CID 55297174

IUPAC6-methoxy-7-methyl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1C)OCCC2=O
InChIInChI=1S/C11H12O3/c1-7-5-11-8(6-10(7)13-2)9(12)3-4-14-11/h5-6H,3-4H2,1-2H3
InChIKeyUXSUVJZHSCGMRN-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.97
Rot. Bonds1

About 6-methoxy-7-methyl-2,3-dihydrochromen-4-one

6-methoxy-7-methyl-2,3-dihydrochromen-4-one (PubChem CID 55297174) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-methoxy-7-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methoxy-7-methyl-2,3-dihydrochromen-4-one
PubChem CID55297174
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name6-methoxy-7-methyl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1C)OCCC2=O
InChIInChI=1S/C11H12O3/c1-7-5-11-8(6-10(7)13-2)9(12)3-4-14-11/h5-6H,3-4H2,1-2H3
InChIKeyUXSUVJZHSCGMRN-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Flavanone
CID 10251
Xanthone
CID 7020
Isoflavone
CID 72304
6-Methoxyflavone
CID 147157
3-Methylchromone
CID 66569
6-Hydroxyflavone
CID 72279
Chromone
CID 10286
2,5-Dimethoxybenzaldehyde
CID 66726
Chromanone
CID 68110
2-Hydroxyxanthone
CID 74708
1,4-Dimethoxyanthraquinone
CID 266054
2-Methoxyxanthone
CID 71034

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methoxy-7-methyl-2,3-dihydrochromen-4-one (CID 55297174) is 6-methoxy-7-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methoxy-7-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methoxy-7-methyl-2,3-dihydrochromen-4-one is COc1cc2c(cc1C)OCCC2=O.
What is the InChIKey of 6-methoxy-7-methyl-2,3-dihydrochromen-4-one?
The InChIKey is UXSUVJZHSCGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-5-11-8(6-10(7)13-2)9(12)3-4-14-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-7-methyl-2,3-dihydrochromen-4-one?
6-methoxy-7-methyl-2,3-dihydrochromen-4-one has a molecular weight of 192.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 55297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).