10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one

C21H14O2 — CID 175155092

IUPAC10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one
SMILESC#CC(c1ccco1)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C21H14O2/c1-2-14(19-12-7-13-23-19)20-15-8-3-5-10-17(15)21(22)18-11-6-4-9-16(18)20/h1,3-14,20H
InChIKeyALKWZMKRVSEHJD-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.37
Rot. Bonds2

About 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one

10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one (PubChem CID 175155092) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one
PubChem CID175155092
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one
SMILESC#CC(c1ccco1)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C21H14O2/c1-2-14(19-12-7-13-23-19)20-15-8-3-5-10-17(15)21(22)18-11-6-4-9-16(18)20/h1,3-14,20H
InChIKeyALKWZMKRVSEHJD-UHFFFAOYSA-N
XLogP4.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[1-(2-methylphenyl)prop-2-ynyl]-10H-anthracen-9-one
CID 175146212
10-(1-hydroxy-2-oxo-2-phenylethyl)-10H-anthracen-9-one
CID 25233409
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal
CID 101465535
10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one
CID 141111063
CID 158261979
CID 158261979
sodium;fluoren-9-one;hydride
CID 174594472

Frequently Asked Questions

What is the IUPAC name of 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one?
The IUPAC name of 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one (CID 175155092) is 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one.
What is the SMILES notation for 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one?
The canonical SMILES for 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one is C#CC(c1ccco1)C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one?
The InChIKey is ALKWZMKRVSEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c1-2-14(19-12-7-13-23-19)20-15-8-3-5-10-17(15)21(22)18-11-6-4-9-16(18)20/h1,3-14,20H.
What are the key properties of 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one?
10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one has a molecular weight of 298.34 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one is sourced from PubChem (CID 175155092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).