bis(2-methylidenechromen-3-yl)methanone

C21H14O3 — CID 58004412

IUPACbis(2-methylidenechromen-3-yl)methanone
SMILESC=C1Oc2ccccc2C=C1C(=O)C1=Cc2ccccc2OC1=C
InChIInChI=1S/C21H14O3/c1-13-17(11-15-7-3-5-9-19(15)23-13)21(22)18-12-16-8-4-6-10-20(16)24-14(18)2/h3-12H,1-2H2
InChIKeyFERGMQMCIALWLK-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.53
Rot. Bonds2

About bis(2-methylidenechromen-3-yl)methanone

bis(2-methylidenechromen-3-yl)methanone (PubChem CID 58004412) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is bis(2-methylidenechromen-3-yl)methanone.

Molecular Properties

Compound Namebis(2-methylidenechromen-3-yl)methanone
PubChem CID58004412
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Namebis(2-methylidenechromen-3-yl)methanone
SMILESC=C1Oc2ccccc2C=C1C(=O)C1=Cc2ccccc2OC1=C
InChIInChI=1S/C21H14O3/c1-13-17(11-15-7-3-5-9-19(15)23-13)21(22)18-12-16-8-4-6-10-20(16)24-14(18)2/h3-12H,1-2H2
InChIKeyFERGMQMCIALWLK-UHFFFAOYSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(1,4-benzoxazepin-2-yl)methanone
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CID 18663615
benzo[b][1]benzoxepin-5-yl(morpholin-4-yl)methanone
CID 18663618
2H-1,2-benzoxazine-3-carboxylic acid
CID 19106824
3-(2-methylbutoxymethyl)-2-methylidenechromene
CID 142061992
methanethiol;[(3Z,5Z)-2-methylidene-1-benzoxocin-3-yl]boronic acid
CID 144598047
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
N-methyl-2H-chromene-3-carboxamide
CID 13029267
[1]benzoxepino[3,2-c]pyridine-6-carboxylic acid
CID 68887653
bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide
CID 45084239
2H-1,2-benzoxazin-3-ol
CID 22992156

Frequently Asked Questions

What is the IUPAC name of bis(2-methylidenechromen-3-yl)methanone?
The IUPAC name of bis(2-methylidenechromen-3-yl)methanone (CID 58004412) is bis(2-methylidenechromen-3-yl)methanone.
What is the SMILES notation for bis(2-methylidenechromen-3-yl)methanone?
The canonical SMILES for bis(2-methylidenechromen-3-yl)methanone is C=C1Oc2ccccc2C=C1C(=O)C1=Cc2ccccc2OC1=C.
What is the InChIKey of bis(2-methylidenechromen-3-yl)methanone?
The InChIKey is FERGMQMCIALWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c1-13-17(11-15-7-3-5-9-19(15)23-13)21(22)18-12-16-8-4-6-10-20(16)24-14(18)2/h3-12H,1-2H2.
What are the key properties of bis(2-methylidenechromen-3-yl)methanone?
bis(2-methylidenechromen-3-yl)methanone has a molecular weight of 314.34 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylidenechromen-3-yl)methanone is sourced from PubChem (CID 58004412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).