ethane;2-phenyl-2,3-dihydrochromen-4-one

C23H36O2 — CID 91018475

IUPACethane;2-phenyl-2,3-dihydrochromen-4-one
SMILESCC.CC.CC.CC.O=C1CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H12O2.4C2H6/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;4*1-2/h1-9,15H,10H2;4*1-2H3
InChIKeyBOYOJNSRXNDGLS-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.50
Rot. Bonds1

About ethane;2-phenyl-2,3-dihydrochromen-4-one

ethane;2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 91018475) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is ethane;2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Nameethane;2-phenyl-2,3-dihydrochromen-4-one
PubChem CID91018475
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Nameethane;2-phenyl-2,3-dihydrochromen-4-one
SMILESCC.CC.CC.CC.O=C1CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H12O2.4C2H6/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;4*1-2/h1-9,15H,10H2;4*1-2H3
InChIKeyBOYOJNSRXNDGLS-UHFFFAOYSA-N
XLogP7.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one
CID 67327231
2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene
CID 175180869
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
CID 169424704
CID 169424704
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
7-(dimethylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 13393781
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of ethane;2-phenyl-2,3-dihydrochromen-4-one (CID 91018475) is ethane;2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for ethane;2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for ethane;2-phenyl-2,3-dihydrochromen-4-one is CC.CC.CC.CC.O=C1CC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of ethane;2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is BOYOJNSRXNDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.4C2H6/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;4*1-2/h1-9,15H,10H2;4*1-2H3.
What are the key properties of ethane;2-phenyl-2,3-dihydrochromen-4-one?
ethane;2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 344.54 g/mol, XLogP of 7.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 91018475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).