chromen-2-one;3-methylfuran

C14H12O3 — CID 174615885

IUPACchromen-2-one;3-methylfuran
SMILESCc1ccoc1.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C5H6O/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5-2-3-6-4-5/h1-6H;2-4H,1H3
InChIKeyHSJVLFQJTIZXQB-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.38
Rot. Bonds

About chromen-2-one;3-methylfuran

chromen-2-one;3-methylfuran (PubChem CID 174615885) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is chromen-2-one;3-methylfuran.

Molecular Properties

Compound Namechromen-2-one;3-methylfuran
PubChem CID174615885
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namechromen-2-one;3-methylfuran
SMILESCc1ccoc1.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C5H6O/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5-2-3-6-4-5/h1-6H;2-4H,1H3
InChIKeyHSJVLFQJTIZXQB-UHFFFAOYSA-N
XLogP3.38
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

chromen-2-one;copper
CID 175033656
CID 175559318
CID 175559318
chromen-2-one;1,4-dioxine
CID 175414540
CID 155018405
CID 155018405
chromen-2-one;quinoxaline
CID 174951370
CID 90964935
CID 90964935
bis(chromen-2-one);3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone;dihydrate
CID 139190164
chromen-2-one;piperidine
CID 162207704
chromen-2-one;bis(prop-2-enoic acid)
CID 175490612
chromen-2-one;N-methylprop-2-enamide
CID 175576112
chromen-2-one;4,5-dihydro-1,2-oxazole
CID 174885895
7-(4-methylphenyl)chromen-2-one
CID 50994676

Frequently Asked Questions

What is the IUPAC name of chromen-2-one;3-methylfuran?
The IUPAC name of chromen-2-one;3-methylfuran (CID 174615885) is chromen-2-one;3-methylfuran.
What is the SMILES notation for chromen-2-one;3-methylfuran?
The canonical SMILES for chromen-2-one;3-methylfuran is Cc1ccoc1.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;3-methylfuran?
The InChIKey is HSJVLFQJTIZXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C5H6O/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5-2-3-6-4-5/h1-6H;2-4H,1H3.
What are the key properties of chromen-2-one;3-methylfuran?
chromen-2-one;3-methylfuran has a molecular weight of 228.25 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;3-methylfuran is sourced from PubChem (CID 174615885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).