2,7-dimethyl-2,3-dihydrochromen-4-one

C11H12O2 — CID 584383

IUPAC2,7-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)OC(C)CC2=O
InChIInChI=1S/C11H12O2/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-5,8H,6H2,1-2H3
InChIKeyFUCUDMCETDOPTO-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.35
Rot. Bonds

About 2,7-dimethyl-2,3-dihydrochromen-4-one

2,7-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 584383) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,7-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2,7-dimethyl-2,3-dihydrochromen-4-one
PubChem CID584383
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2,7-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)OC(C)CC2=O
InChIInChI=1S/C11H12O2/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-5,8H,6H2,1-2H3
InChIKeyFUCUDMCETDOPTO-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10251
Flavone
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Xanthone
CID 7020
Isoflavone
CID 72304
6-Methoxyflavone
CID 147157
4'-Hydroxyflavanone
CID 165506
2-Methoxybenzaldehyde
CID 8658
3-Methylchromone
CID 66569
4'-Methoxyflavone
CID 77793
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481
Chromanone
CID 68110

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2,7-dimethyl-2,3-dihydrochromen-4-one (CID 584383) is 2,7-dimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2,7-dimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2,7-dimethyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)OC(C)CC2=O.
What is the InChIKey of 2,7-dimethyl-2,3-dihydrochromen-4-one?
The InChIKey is FUCUDMCETDOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-5,8H,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-2,3-dihydrochromen-4-one?
2,7-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 176.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 584383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).