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

C10H12O2 — CID 11557341

IUPAC2-methyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCC1C=CC2=C(CCCC2=O)O1
InChIInChI=1S/C10H12O2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h5-7H,2-4H2,1H3
InChIKeyTZDNUIAAQCSNHY-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds

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

2-methyl-2,6,7,8-tetrahydrochromen-5-one (PubChem CID 11557341) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyl-2,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name2-methyl-2,6,7,8-tetrahydrochromen-5-one
PubChem CID11557341
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCC1C=CC2=C(CCCC2=O)O1
InChIInChI=1S/C10H12O2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h5-7H,2-4H2,1H3
InChIKeyTZDNUIAAQCSNHY-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 2-methyl-2,6,7,8-tetrahydrochromen-5-one (CID 11557341) is 2-methyl-2,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 2-methyl-2,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 2-methyl-2,6,7,8-tetrahydrochromen-5-one is CC1C=CC2=C(CCCC2=O)O1.
What is the InChIKey of 2-methyl-2,6,7,8-tetrahydrochromen-5-one?
The InChIKey is TZDNUIAAQCSNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h5-7H,2-4H2,1H3.
What are the key properties of 2-methyl-2,6,7,8-tetrahydrochromen-5-one?
2-methyl-2,6,7,8-tetrahydrochromen-5-one has a molecular weight of 164.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 11557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).