1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane

C22H30 — CID 142883836

IUPAC1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane
SMILESCC.CC/C(=C(\C)Cc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C20H24.C2H6/c1-5-19(20-13-15(2)11-12-16(20)3)17(4)14-18-9-7-6-8-10-18;1-2/h6-13H,5,14H2,1-4H3;1-2H3/b19-17-;
InChIKeyWXEURUFMRKWZRP-HGMLFDQWSA-N
MW294.48 g/mol
LogP6.76
Rot. Bonds4

About 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane

1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane (PubChem CID 142883836) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane
PubChem CID142883836
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane
SMILESCC.CC/C(=C(\C)Cc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C20H24.C2H6/c1-5-19(20-13-15(2)11-12-16(20)3)17(4)14-18-9-7-6-8-10-18;1-2/h6-13H,5,14H2,1-4H3;1-2H3/b19-17-;
InChIKeyWXEURUFMRKWZRP-HGMLFDQWSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
[(E)-3-methyl-1-phenylpent-2-en-2-yl]benzene
CID 6432959
1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene
CID 142929986
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
1,4-dimethyl-2-prop-1-en-2-ylbenzene;ethane;3-ethylpentane;2-methylprop-1-ene;propane;1,2-xylene
CID 171512007
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 3353937
N-benzyl-2-bromo-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 80679693
2-ethyl-3-methyl-4-phenylbut-2-enoic acid
CID 151965937

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane?
The IUPAC name of 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane (CID 142883836) is 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane.
What is the SMILES notation for 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane?
The canonical SMILES for 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane is CC.CC/C(=C(\C)Cc1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane?
The InChIKey is WXEURUFMRKWZRP-HGMLFDQWSA-N. The full InChI is InChI=1S/C20H24.C2H6/c1-5-19(20-13-15(2)11-12-16(20)3)17(4)14-18-9-7-6-8-10-18;1-2/h6-13H,5,14H2,1-4H3;1-2H3/b19-17-;.
What are the key properties of 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane?
1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane has a molecular weight of 294.48 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane is sourced from PubChem (CID 142883836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).