1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene

C22H24 — CID 145203948

IUPAC1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
SMILESC=C(C)/C=C\C(=C)CCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24/c1-17(2)5-6-18(3)7-10-20-11-15-22(16-12-20)21-13-8-19(4)9-14-21/h5-6,8-9,11-16H,1,3,7,10H2,2,4H3/b6-5-
InChIKeyHZWPJJPJAUGSGR-WAYWQWQTSA-N
MW288.43 g/mol
LogP6.28
Rot. Bonds6

About 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene

1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene (PubChem CID 145203948) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
PubChem CID145203948
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
SMILESC=C(C)/C=C\C(=C)CCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24/c1-17(2)5-6-18(3)7-10-20-11-15-22(16-12-20)21-13-8-19(4)9-14-21/h5-6,8-9,11-16H,1,3,7,10H2,2,4H3/b6-5-
InChIKeyHZWPJJPJAUGSGR-WAYWQWQTSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.28
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-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182
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CID 105113096
4-[(Z)-3,6-dimethylideneoct-4-enyl]aniline
CID 145059876
1-methyl-4-(3-methylidenepentyl)benzene
CID 18956749
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-[(4E,6E)-5,7-ditert-butyl-3-methylidenenona-4,6,8-trienyl]-4-methylbenzene
CID 171093255
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
[(E)-3-methylidenehex-4-enyl]benzene
CID 15074252
5-methyl-1-(4-methylphenyl)hex-4-en-3-one
CID 58766543
3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide
CID 142073021
1-methyl-4-(4-propylphenyl)benzene
CID 157416879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene (CID 145203948) is 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene is C=C(C)/C=C\C(=C)CCc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene?
The InChIKey is HZWPJJPJAUGSGR-WAYWQWQTSA-N. The full InChI is InChI=1S/C22H24/c1-17(2)5-6-18(3)7-10-20-11-15-22(16-12-20)21-13-8-19(4)9-14-21/h5-6,8-9,11-16H,1,3,7,10H2,2,4H3/b6-5-.
What are the key properties of 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene?
1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene has a molecular weight of 288.43 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene is sourced from PubChem (CID 145203948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).