7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one

C13H18O2 — CID 10954728

IUPAC7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCCCC1C=CC2=C(CC(C)CC2=O)O1
InChIInChI=1S/C13H18O2/c1-3-4-10-5-6-11-12(14)7-9(2)8-13(11)15-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyMNJXGGLOHBEJOE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.99
Rot. Bonds2

About 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one

7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one (PubChem CID 10954728) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one
PubChem CID10954728
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCCCC1C=CC2=C(CC(C)CC2=O)O1
InChIInChI=1S/C13H18O2/c1-3-4-10-5-6-11-12(14)7-9(2)8-13(11)15-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyMNJXGGLOHBEJOE-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2-Dimethyl-2,6,7,8-tetrahydro-5H-1-benzopyran-5-one
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CID 11637365
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Chroman-5,6-quinone
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8,8-Dimethyl-1,3,4,7,9,10a-hexahydropyrano[3,4-b]chromen-6-one
CID 102364138
7,8-Dihydro-2h-chromen-5(6h)-one
CID 141240290
2-methyl-2-(4-methylpent-3-enyl)-5-oxo-7,8-dihydro-6H-chromene-6-carbaldehyde
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3-(1-Butoxyvinyl)-5,5-dimethylcyclohex-2-enone
CID 34178725
5-Methoxy-2-methyl-6-(3-oxobut-1-enyl)-4a,5,8,8a-tetrahydrochromen-4-one
CID 91580224
7-hydroxy-6,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,5,6-tetrahydrochromen-4-one
CID 129835674

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one (CID 10954728) is 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one is CCCC1C=CC2=C(CC(C)CC2=O)O1.
What is the InChIKey of 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
The InChIKey is MNJXGGLOHBEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-10-5-6-11-12(14)7-9(2)8-13(11)15-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one has a molecular weight of 206.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propyl-2,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 10954728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).