ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene

C22H26 — CID 91066006

IUPACethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene
SMILESCC.CCC1=C(C)C(=Cc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C20H20.C2H6/c1-4-17-15(3)20(19-8-6-5-7-18(17)19)13-16-11-9-14(2)10-12-16;1-2/h5-13H,4H2,1-3H3;1-2H3
InChIKeyNKAHMBBNXFFHSP-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.76
Rot. Bonds2

About ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene

ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene (PubChem CID 91066006) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene.

Molecular Properties

Compound Nameethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene
PubChem CID91066006
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Nameethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene
SMILESCC.CCC1=C(C)C(=Cc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C20H20.C2H6/c1-4-17-15(3)20(19-8-6-5-7-18(17)19)13-16-11-9-14(2)10-12-16;1-2/h5-13H,4H2,1-3H3;1-2H3
InChIKeyNKAHMBBNXFFHSP-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene
CID 90131086
(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol
CID 59070266
(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylsulfinylphenyl)methylidene]indene;propane
CID 144634993
2-[(3E)-6-fluoro-2-methyl-3-[(4-methylphenyl)methylidene]inden-1-yl]acetic acid
CID 59167151
5-[[(3Z)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-2H-tetrazole
CID 155549985
(9Z)-1,3-difluoro-9-[(4-methylphenyl)methylidene]fluorene
CID 177462584
5-[2-[(3Z)-3-[(4-methoxyphenyl)methylidene]-2-methylinden-1-yl]ethyl]-2H-tetrazole
CID 155526331
(3E)-3-[(4-methylphenyl)methylidene]-1H-indole-2-thione
CID 54671621
(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one
CID 10879469
9-benzylidene-2,7-dimethylfluorene;ethane
CID 91037957
(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 7971897
2-methyl-9-[(4-methylsulfanylphenyl)methylidene]fluorene
CID 76760087

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene?
The IUPAC name of ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene (CID 91066006) is ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene.
What is the SMILES notation for ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene?
The canonical SMILES for ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene is CC.CCC1=C(C)C(=Cc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene?
The InChIKey is NKAHMBBNXFFHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20.C2H6/c1-4-17-15(3)20(19-8-6-5-7-18(17)19)13-16-11-9-14(2)10-12-16;1-2/h5-13H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene?
ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene has a molecular weight of 290.45 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methyl-3-[(4-methylphenyl)methylidene]indene is sourced from PubChem (CID 91066006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).