methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium

C18H19O+ — CID 143043349

IUPACmethyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium
SMILESC/C=C(\C)C(=C1C=CC(=[O+]C)C=C1)c1ccccc1
InChIInChI=1S/C18H19O/c1-4-14(2)18(15-8-6-5-7-9-15)16-10-12-17(19-3)13-11-16/h4-13H,1-3H3/q+1/b14-4+
InChIKeyRFOVUMOBTFEMPY-LNKIKWGQSA-N
MW251.35 g/mol
LogP4.27
Rot. Bonds2

About methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium

methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium (PubChem CID 143043349) has the molecular formula C18H19O+ and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium.

Molecular Properties

Compound Namemethyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium
PubChem CID143043349
Molecular FormulaC18H19O+
Molecular Weight251.35 g/mol
Exact Mass251.14
IUPAC Namemethyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium
SMILESC/C=C(\C)C(=C1C=CC(=[O+]C)C=C1)c1ccccc1
InChIInChI=1S/C18H19O/c1-4-14(2)18(15-8-6-5-7-9-15)16-10-12-17(19-3)13-11-16/h4-13H,1-3H3/q+1/b14-4+
InChIKeyRFOVUMOBTFEMPY-LNKIKWGQSA-N
XLogP4.27
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-[diazenyl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 136749704
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
1-bromoprop-1-en-2-ylbenzene
CID 5152757
methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride
CID 160793372
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
CID 125477418
acetaldehyde;benzoic acid
CID 142179743
1-iodoprop-1-en-2-ylbenzene
CID 54065087
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium?
The IUPAC name of methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium (CID 143043349) is methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium.
What is the SMILES notation for methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium?
The canonical SMILES for methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium is C/C=C(\C)C(=C1C=CC(=[O+]C)C=C1)c1ccccc1.
What is the InChIKey of methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium?
The InChIKey is RFOVUMOBTFEMPY-LNKIKWGQSA-N. The full InChI is InChI=1S/C18H19O/c1-4-14(2)18(15-8-6-5-7-9-15)16-10-12-17(19-3)13-11-16/h4-13H,1-3H3/q+1/b14-4+.
What are the key properties of methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium?
methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium has a molecular weight of 251.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[(E)-2-methyl-1-phenylbut-2-enylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium is sourced from PubChem (CID 143043349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).