6,7-dihydrochromen-2-one;propane

C12H16O2 — CID 143229941

IUPAC6,7-dihydrochromen-2-one;propane
SMILESCCC.O=c1ccc2c(o1)=CCCC=2
InChIInChI=1S/C9H8O2.C3H8/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-2/h3-6H,1-2H2;3H2,1-2H3
InChIKeyOQHHGSAJDBYCFE-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.41
Rot. Bonds

About 6,7-dihydrochromen-2-one;propane

6,7-dihydrochromen-2-one;propane (PubChem CID 143229941) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6,7-dihydrochromen-2-one;propane.

Molecular Properties

Compound Name6,7-dihydrochromen-2-one;propane
PubChem CID143229941
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6,7-dihydrochromen-2-one;propane
SMILESCCC.O=c1ccc2c(o1)=CCCC=2
InChIInChI=1S/C9H8O2.C3H8/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-2/h3-6H,1-2H2;3H2,1-2H3
InChIKeyOQHHGSAJDBYCFE-UHFFFAOYSA-N
XLogP1.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8H-cyclohepta[b]pyran-2-one
CID 143529641
chromene-2,6,7-trione
CID 14717987
7H-cyclohepta[b]pyran-2-one;propane
CID 144980587
5,6-dipropylpyran-2-one
CID 15445692
6,7-diethylchromen-2-one
CID 90255356
5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 69153790
5-triethylsilylchromen-2-one
CID 90255583
7-ethylpyrano[2,3-b]pyridin-2-one
CID 145481174
6-undecylpyran-2-one
CID 14827366
ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952
2,3-dihydroxanthen-9-one
CID 144768115
S-[2-[2-(2-oxo-6,7-dihydrochromene-3-carbonyl)sulfanylethoxy]ethyl] 2-oxochromene-3-carbothioate
CID 177065234

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydrochromen-2-one;propane?
The IUPAC name of 6,7-dihydrochromen-2-one;propane (CID 143229941) is 6,7-dihydrochromen-2-one;propane.
What is the SMILES notation for 6,7-dihydrochromen-2-one;propane?
The canonical SMILES for 6,7-dihydrochromen-2-one;propane is CCC.O=c1ccc2c(o1)=CCCC=2.
What is the InChIKey of 6,7-dihydrochromen-2-one;propane?
The InChIKey is OQHHGSAJDBYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C3H8/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-2/h3-6H,1-2H2;3H2,1-2H3.
What are the key properties of 6,7-dihydrochromen-2-one;propane?
6,7-dihydrochromen-2-one;propane has a molecular weight of 192.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrochromen-2-one;propane is sourced from PubChem (CID 143229941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).