2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one

C15H18O2 — CID 114671506

IUPAC2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
SMILESCC1(CC2CCC2)CC(=O)c2ccccc2O1
InChIInChI=1S/C15H18O2/c1-15(9-11-5-4-6-11)10-13(16)12-7-2-3-8-14(12)17-15/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyASBVBXCIMCYNQE-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.60
Rot. Bonds2

About 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one

2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one (PubChem CID 114671506) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
PubChem CID114671506
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
SMILESCC1(CC2CCC2)CC(=O)c2ccccc2O1
InChIInChI=1S/C15H18O2/c1-15(9-11-5-4-6-11)10-13(16)12-7-2-3-8-14(12)17-15/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyASBVBXCIMCYNQE-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one?
The IUPAC name of 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one (CID 114671506) is 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one?
The canonical SMILES for 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one is CC1(CC2CCC2)CC(=O)c2ccccc2O1.
What is the InChIKey of 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one?
The InChIKey is ASBVBXCIMCYNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(9-11-5-4-6-11)10-13(16)12-7-2-3-8-14(12)17-15/h2-3,7-8,11H,4-6,9-10H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one?
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 114671506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).