1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene

C20H22 — CID 123950810

IUPAC1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene
SMILESC=C(C(=C)C(C)Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C20H22/c1-15-10-12-20(13-11-15)18(4)17(3)16(2)14-19-8-6-5-7-9-19/h5-13,16H,3-4,14H2,1-2H3
InChIKeyIQWVGNBOKFSYRX-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.44
Rot. Bonds5

About 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene

1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene (PubChem CID 123950810) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene
PubChem CID123950810
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene
SMILESC=C(C(=C)C(C)Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C20H22/c1-15-10-12-20(13-11-15)18(4)17(3)16(2)14-19-8-6-5-7-9-19/h5-13,16H,3-4,14H2,1-2H3
InChIKeyIQWVGNBOKFSYRX-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-methyl-3-methylidenepentyl]benzene
CID 173484600
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
CID 70499675
(3R)-N,3-dimethyl-4-phenylbut-1-en-2-amine
CID 142994243
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
CID 142994215
(2S)-2-[[(2S)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 54392610
CID 20537348
CID 20537348
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene?
The IUPAC name of 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene (CID 123950810) is 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene is C=C(C(=C)C(C)Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene?
The InChIKey is IQWVGNBOKFSYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-15-10-12-20(13-11-15)18(4)17(3)16(2)14-19-8-6-5-7-9-19/h5-13,16H,3-4,14H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene?
1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene has a molecular weight of 262.40 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene is sourced from PubChem (CID 123950810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).