2-methyl-5,6,7,8-tetrahydrochromen-4-one

C10H12O2 — CID 596062

IUPAC2-methyl-5,6,7,8-tetrahydrochromen-4-one
SMILESCc1cc(=O)c2c(o1)CCCC2
InChIInChI=1S/C10H12O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3
InChIKeyYZYTUKCUCAZYHF-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.83
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydrochromen-4-one

2-methyl-5,6,7,8-tetrahydrochromen-4-one (PubChem CID 596062) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydrochromen-4-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydrochromen-4-one
PubChem CID596062
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyl-5,6,7,8-tetrahydrochromen-4-one
SMILESCc1cc(=O)c2c(o1)CCCC2
InChIInChI=1S/C10H12O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3
InChIKeyYZYTUKCUCAZYHF-UHFFFAOYSA-N
XLogP1.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 788398
1,8-Dioxo-octahydroxanthene
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4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
5-Oxo-5,6,7,8-tetrahydro-4h-chromene
CID 14993949
5,6,7,8-Tetrahydrochromen-4-one
CID 141412515
1,2,3,4,5,6,7,8-Octahydroxanthen-9-one
CID 957550
(2-Acetylcyclohexen-1-yl) acetate
CID 13247259
1-(2-Methoxycyclohexen-1-yl)propan-1-one
CID 86168701
2-Cyclohexen-1-one, 3-methoxy-2-(2-propenyl)-
CID 10986611
3-Methoxy-2-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 12003839
1,3,5,6-Tetrahydroxanthone
CID 129715045
1-(2-Methoxycyclohexen-1-yl)ethanone
CID 130032037

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydrochromen-4-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydrochromen-4-one (CID 596062) is 2-methyl-5,6,7,8-tetrahydrochromen-4-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydrochromen-4-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydrochromen-4-one is Cc1cc(=O)c2c(o1)CCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydrochromen-4-one?
The InChIKey is YZYTUKCUCAZYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydrochromen-4-one?
2-methyl-5,6,7,8-tetrahydrochromen-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydrochromen-4-one is sourced from PubChem (CID 596062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).