10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one

C29H22O2 — CID 158511219

IUPAC10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccccc1.O=C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H12O.C14H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-12H;1-8H,9H2/b12-11+;
InChIKeyHLBRCVUYGGOQHT-CALJPSDSSA-N
MW402.49 g/mol
LogP6.40
Rot. Bonds3

About 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one

10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one (PubChem CID 158511219) has the molecular formula C29H22O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one
PubChem CID158511219
Molecular FormulaC29H22O2
Molecular Weight402.49 g/mol
Exact Mass402.16
IUPAC Name10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccccc1.O=C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H12O.C14H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-12H;1-8H,9H2/b12-11+;
InChIKeyHLBRCVUYGGOQHT-CALJPSDSSA-N
XLogP6.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one with MolForge

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Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
CID 174731066

Frequently Asked Questions

What is the IUPAC name of 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one (CID 158511219) is 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccccc1.O=C1c2ccccc2Cc2ccccc21.
What is the InChIKey of 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one?
The InChIKey is HLBRCVUYGGOQHT-CALJPSDSSA-N. The full InChI is InChI=1S/C15H12O.C14H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-12H;1-8H,9H2/b12-11+;.
What are the key properties of 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one?
10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one has a molecular weight of 402.49 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 158511219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).