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

C9H10O2 — CID 141412515

IUPAC5,6,7,8-tetrahydrochromen-4-one
SMILESO=c1ccoc2c1CCCC2
InChIInChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2
InChIKeyNXBUIMLKSWKFQY-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.52
Rot. Bonds

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

5,6,7,8-tetrahydrochromen-4-one (PubChem CID 141412515) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrochromen-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydrochromen-4-one
PubChem CID141412515
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5,6,7,8-tetrahydrochromen-4-one
SMILESO=c1ccoc2c1CCCC2
InChIInChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2
InChIKeyNXBUIMLKSWKFQY-UHFFFAOYSA-N
XLogP1.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrochromen-4-one?
The IUPAC name of 5,6,7,8-tetrahydrochromen-4-one (CID 141412515) is 5,6,7,8-tetrahydrochromen-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydrochromen-4-one?
The canonical SMILES for 5,6,7,8-tetrahydrochromen-4-one is O=c1ccoc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydrochromen-4-one?
The InChIKey is NXBUIMLKSWKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydrochromen-4-one?
5,6,7,8-tetrahydrochromen-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrochromen-4-one is sourced from PubChem (CID 141412515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).