6-(cyclobutylidenemethyl)-4H-chromen-3-one

C14H14O2 — CID 158736665

IUPAC6-(cyclobutylidenemethyl)-4H-chromen-3-one
SMILESO=C1COc2ccc(C=C3CCC3)cc2C1
InChIInChI=1S/C14H14O2/c15-13-8-12-7-11(6-10-2-1-3-10)4-5-14(12)16-9-13/h4-7H,1-3,8-9H2
InChIKeyPVWGLAMDKDSCSH-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.76
Rot. Bonds1

About 6-(cyclobutylidenemethyl)-4H-chromen-3-one

6-(cyclobutylidenemethyl)-4H-chromen-3-one (PubChem CID 158736665) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-(cyclobutylidenemethyl)-4H-chromen-3-one.

Molecular Properties

Compound Name6-(cyclobutylidenemethyl)-4H-chromen-3-one
PubChem CID158736665
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name6-(cyclobutylidenemethyl)-4H-chromen-3-one
SMILESO=C1COc2ccc(C=C3CCC3)cc2C1
InChIInChI=1S/C14H14O2/c15-13-8-12-7-11(6-10-2-1-3-10)4-5-14(12)16-9-13/h4-7H,1-3,8-9H2
InChIKeyPVWGLAMDKDSCSH-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylidenemethyl)-4H-chromen-3-one?
The IUPAC name of 6-(cyclobutylidenemethyl)-4H-chromen-3-one (CID 158736665) is 6-(cyclobutylidenemethyl)-4H-chromen-3-one.
What is the SMILES notation for 6-(cyclobutylidenemethyl)-4H-chromen-3-one?
The canonical SMILES for 6-(cyclobutylidenemethyl)-4H-chromen-3-one is O=C1COc2ccc(C=C3CCC3)cc2C1.
What is the InChIKey of 6-(cyclobutylidenemethyl)-4H-chromen-3-one?
The InChIKey is PVWGLAMDKDSCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-8-12-7-11(6-10-2-1-3-10)4-5-14(12)16-9-13/h4-7H,1-3,8-9H2.
What are the key properties of 6-(cyclobutylidenemethyl)-4H-chromen-3-one?
6-(cyclobutylidenemethyl)-4H-chromen-3-one has a molecular weight of 214.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutylidenemethyl)-4H-chromen-3-one is sourced from PubChem (CID 158736665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).