1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene

C19H20 — CID 142303398

IUPAC1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
SMILESC=C(C)/C=C(/c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H20/c1-14(2)12-19(17-8-6-5-7-9-17)18-13-15(3)10-11-16(18)4/h5-13H,1H2,2-4H3/b19-12-
InChIKeyPCOSPTMJHITECX-UNOMPAQXSA-N
MW248.37 g/mol
LogP5.31
Rot. Bonds3

About 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene

1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene (PubChem CID 142303398) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
PubChem CID142303398
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
SMILESC=C(C)/C=C(/c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H20/c1-14(2)12-19(17-8-6-5-7-9-17)18-13-15(3)10-11-16(18)4/h5-13H,1H2,2-4H3/b19-12-
InChIKeyPCOSPTMJHITECX-UNOMPAQXSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.31
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

1,4-dimethyl-2-[(1E)-1-phenylbuta-1,3-dienyl]benzene
CID 102501340
1,4-dimethyl-2-[1-(2-methylphenyl)prop-1-enyl]benzene
CID 90922065
3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide
CID 102204543
(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
CID 102455736
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
3-chloro-3-(2,5-dimethylphenyl)-2-phenylprop-2-enenitrile
CID 76922556
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
benzoyl 2,5-dimethylbenzoate
CID 87941827
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene
CID 142929986
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
(4S)-2,8-dimethyl-7-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]-4-phenyl-3,4-dihydroquinoline
CID 166777014

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene (CID 142303398) is 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene is C=C(C)/C=C(/c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene?
The InChIKey is PCOSPTMJHITECX-UNOMPAQXSA-N. The full InChI is InChI=1S/C19H20/c1-14(2)12-19(17-8-6-5-7-9-17)18-13-15(3)10-11-16(18)4/h5-13H,1H2,2-4H3/b19-12-.
What are the key properties of 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene?
1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 142303398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).