3-(furan-2-yl)-2-methylinden-1-one

C14H10O2 — CID 23727587

IUPAC3-(furan-2-yl)-2-methylinden-1-one
SMILESCC1=C(c2ccco2)c2ccccc2C1=O
InChIInChI=1S/C14H10O2/c1-9-13(12-7-4-8-16-12)10-5-2-3-6-11(10)14(9)15/h2-8H,1H3
InChIKeyBAZPTRQYRAEOKQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.30
Rot. Bonds1

About 3-(furan-2-yl)-2-methylinden-1-one

3-(furan-2-yl)-2-methylinden-1-one (PubChem CID 23727587) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methylinden-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methylinden-1-one
PubChem CID23727587
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name3-(furan-2-yl)-2-methylinden-1-one
SMILESCC1=C(c2ccco2)c2ccccc2C1=O
InChIInChI=1S/C14H10O2/c1-9-13(12-7-4-8-16-12)10-5-2-3-6-11(10)14(9)15/h2-8H,1H3
InChIKeyBAZPTRQYRAEOKQ-UHFFFAOYSA-N
XLogP3.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-1-(furan-2-yl)-2-methylanthracene-9,10-dione
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ethane;2-(2-methylphenyl)furan
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2-(2-propan-2-ylphenyl)furan
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ethane;2-(furan-2-yl)furan
CID 161366084
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one
CID 135867848
CID 89078504
CID 89078504
2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
CID 10446437
2-(2-fluorophenyl)furan
CID 10511186
2-[2-propan-2-yl-6-(2-propan-2-ylphenyl)phenyl]furan
CID 101485529
2-(2-chloro-3-methylphenyl)furan
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2-[2-(difluoromethylsulfanyl)phenyl]furan
CID 168527724

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methylinden-1-one?
The IUPAC name of 3-(furan-2-yl)-2-methylinden-1-one (CID 23727587) is 3-(furan-2-yl)-2-methylinden-1-one.
What is the SMILES notation for 3-(furan-2-yl)-2-methylinden-1-one?
The canonical SMILES for 3-(furan-2-yl)-2-methylinden-1-one is CC1=C(c2ccco2)c2ccccc2C1=O.
What is the InChIKey of 3-(furan-2-yl)-2-methylinden-1-one?
The InChIKey is BAZPTRQYRAEOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-9-13(12-7-4-8-16-12)10-5-2-3-6-11(10)14(9)15/h2-8H,1H3.
What are the key properties of 3-(furan-2-yl)-2-methylinden-1-one?
3-(furan-2-yl)-2-methylinden-1-one has a molecular weight of 210.23 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methylinden-1-one is sourced from PubChem (CID 23727587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).