(E)-3-benzhydrylidenehex-4-en-2-one

C19H18O — CID 101384989

IUPAC(E)-3-benzhydrylidenehex-4-en-2-one
SMILESC/C=C/C(C(C)=O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O/c1-3-10-18(15(2)20)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-14H,1-2H3/b10-3+
InChIKeyGSIGIJGCTNTXIN-XCVCLJGOSA-N
MW262.35 g/mol
LogP4.65
Rot. Bonds4

About (E)-3-benzhydrylidenehex-4-en-2-one

(E)-3-benzhydrylidenehex-4-en-2-one (PubChem CID 101384989) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-3-benzhydrylidenehex-4-en-2-one.

Molecular Properties

Compound Name(E)-3-benzhydrylidenehex-4-en-2-one
PubChem CID101384989
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(E)-3-benzhydrylidenehex-4-en-2-one
SMILESC/C=C/C(C(C)=O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O/c1-3-10-18(15(2)20)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-14H,1-2H3/b10-3+
InChIKeyGSIGIJGCTNTXIN-XCVCLJGOSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylhexa-2,4-dien-1-one
CID 57351073
2-(1-anilinoethylidene)pent-3-enoic acid
CID 141217041
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
CID 143297607
[(E)-but-2-enoyl] benzoate
CID 87397529
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(2Z,4Z)-3-bromo-2-ethenyl-1-phenylhexa-2,4-dien-1-one
CID 142152358
ethane;(2E,3Z,5Z)-2-ethylidene-1-phenylhepta-3,5-dien-1-one
CID 143624679
1-phenylethenyl but-2-enoate
CID 68623165
acetaldehyde;benzoic acid
CID 142179743
1-iodoprop-1-en-2-ylbenzene
CID 54065087

Frequently Asked Questions

What is the IUPAC name of (E)-3-benzhydrylidenehex-4-en-2-one?
The IUPAC name of (E)-3-benzhydrylidenehex-4-en-2-one (CID 101384989) is (E)-3-benzhydrylidenehex-4-en-2-one.
What is the SMILES notation for (E)-3-benzhydrylidenehex-4-en-2-one?
The canonical SMILES for (E)-3-benzhydrylidenehex-4-en-2-one is C/C=C/C(C(C)=O)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-benzhydrylidenehex-4-en-2-one?
The InChIKey is GSIGIJGCTNTXIN-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H18O/c1-3-10-18(15(2)20)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-14H,1-2H3/b10-3+.
What are the key properties of (E)-3-benzhydrylidenehex-4-en-2-one?
(E)-3-benzhydrylidenehex-4-en-2-one has a molecular weight of 262.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-benzhydrylidenehex-4-en-2-one is sourced from PubChem (CID 101384989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).