1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone

C22H16O3 — CID 1240664

IUPAC1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(=Cc1ccco1)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C22H16O3/c1-13(23)15-5-7-18-19-8-6-16(14(2)24)11-21(19)22(20(18)10-15)12-17-4-3-9-25-17/h3-12H,1-2H3
InChIKeyYRCWATRZEABTIB-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.25
Rot. Bonds3

About 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone

1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone (PubChem CID 1240664) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone
PubChem CID1240664
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(=Cc1ccco1)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C22H16O3/c1-13(23)15-5-7-18-19-8-6-16(14(2)24)11-21(19)22(20(18)10-15)12-17-4-3-9-25-17/h3-12H,1-2H3
InChIKeyYRCWATRZEABTIB-UHFFFAOYSA-N
XLogP5.25
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone
CID 46502063
1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone
CID 541323
(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
CID 10729540
(5E)-3-(3-acetylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136541
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
3-[(4E)-4-(furan-2-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 98063700
2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
CID 6510728
1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
4-(furan-2-ylmethylidene)isochromene-1,3-dione
CID 587564
3-[(4Z)-4-(furan-2-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]benzoate
CID 7481893
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945

Frequently Asked Questions

What is the IUPAC name of 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone?
The IUPAC name of 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone (CID 1240664) is 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone.
What is the SMILES notation for 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone?
The canonical SMILES for 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone is CC(=O)c1ccc2c(c1)C(=Cc1ccco1)c1cc(C(C)=O)ccc1-2.
What is the InChIKey of 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone?
The InChIKey is YRCWATRZEABTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-13(23)15-5-7-18-19-8-6-16(14(2)24)11-21(19)22(20(18)10-15)12-17-4-3-9-25-17/h3-12H,1-2H3.
What are the key properties of 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone?
1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone has a molecular weight of 328.37 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone is sourced from PubChem (CID 1240664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).