1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene

C22H26O — CID 139791979

IUPAC1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene
SMILESC=Cc1ccc(C(C)COCC(C)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C22H26O/c1-5-19-7-11-21(12-8-19)17(3)15-23-16-18(4)22-13-9-20(6-2)10-14-22/h5-14,17-18H,1-2,15-16H2,3-4H3
InChIKeyMHNTZPBXAAHKIH-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.90
Rot. Bonds8

About 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene

1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene (PubChem CID 139791979) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene
PubChem CID139791979
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene
SMILESC=Cc1ccc(C(C)COCC(C)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C22H26O/c1-5-19-7-11-21(12-8-19)17(3)15-23-16-18(4)22-13-9-20(6-2)10-14-22/h5-14,17-18H,1-2,15-16H2,3-4H3
InChIKeyMHNTZPBXAAHKIH-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-ethenyl-4-pentan-2-ylbenzene
CID 178004325
4-(4-ethenylphenyl)pentan-1-amine
CID 156902125
1-(4-ethenylphenyl)propan-1-ol
CID 57179237
(1R,2R)-1,2-bis(4-ethenylphenyl)ethane-1,2-diol
CID 11747528
ethyl 4-(4-ethenylphenyl)-2-(fluoromethyl)pentanoate
CID 141004474
1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine
CID 67344388
3-(4-ethenylphenyl)butan-2-yloxy-trimethylsilane
CID 139631311
4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 175171618
4-(1-ethoxypropan-2-yl)phenol
CID 91168138
2-(4-ethenylphenyl)propane-1,3-dithiol
CID 87508492
(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)
CID 161464073
1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
CID 141437530

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene?
The IUPAC name of 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene (CID 139791979) is 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene?
The canonical SMILES for 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene is C=Cc1ccc(C(C)COCC(C)c2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene?
The InChIKey is MHNTZPBXAAHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-5-19-7-11-21(12-8-19)17(3)15-23-16-18(4)22-13-9-20(6-2)10-14-22/h5-14,17-18H,1-2,15-16H2,3-4H3.
What are the key properties of 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene?
1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene has a molecular weight of 306.45 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene is sourced from PubChem (CID 139791979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).