2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene

C34H36O2 — CID 175180869

IUPAC2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene
SMILESCCCCCCC(c1ccccc1)c1ccccc1.O=C1CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H24.C15H12O2/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h5-10,12-15,19H,2-4,11,16H2,1H3;1-9,15H,10H2
InChIKeyKAWUWRJPTROFFY-UHFFFAOYSA-N
MW476.66 g/mol
LogP9.18
Rot. Bonds8

About 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene

2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene (PubChem CID 175180869) has the molecular formula C34H36O2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene.

Molecular Properties

Compound Name2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene
PubChem CID175180869
Molecular FormulaC34H36O2
Molecular Weight476.66 g/mol
Exact Mass476.27
IUPAC Name2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene
SMILESCCCCCCC(c1ccccc1)c1ccccc1.O=C1CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H24.C15H12O2/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h5-10,12-15,19H,2-4,11,16H2,1H3;1-9,15H,10H2
InChIKeyKAWUWRJPTROFFY-UHFFFAOYSA-N
XLogP9.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
ethyl 2-fluoro-2-[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]acetate
CID 122402840
[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
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
2-[4-[(3-triethoxysilylpropylamino)methyl]phenyl]-2,3-dihydrochromen-4-one
CID 59562362
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
CID 169424704
CID 169424704
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 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene?
The IUPAC name of 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene (CID 175180869) is 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene.
What is the SMILES notation for 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene?
The canonical SMILES for 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene is CCCCCCC(c1ccccc1)c1ccccc1.O=C1CC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene?
The InChIKey is KAWUWRJPTROFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C15H12O2/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h5-10,12-15,19H,2-4,11,16H2,1H3;1-9,15H,10H2.
What are the key properties of 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene?
2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene has a molecular weight of 476.66 g/mol, XLogP of 9.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene is sourced from PubChem (CID 175180869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).