[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene

C20H22O — CID 57127661

IUPAC[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
SMILESCC(C)=C(OC(=C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-15(2)19(17-11-7-5-8-12-17)21-20(16(3)4)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeyPNKZBOFZPMFXAA-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.91
Rot. Bonds4

About [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene

[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene (PubChem CID 57127661) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
PubChem CID57127661
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
SMILESCC(C)=C(OC(=C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-15(2)19(17-11-7-5-8-12-17)21-20(16(3)4)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKeyPNKZBOFZPMFXAA-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine
CID 143900193
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
(2-methyl-1-pentoxyprop-1-enyl)benzene
CID 162689985
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
acetic acid;1-phenylethanone
CID 159392478
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
CID 162308474
CID 162308474
1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene
CID 100928852
acetic acid;diphenylmethanone;hydrate
CID 161284686
[(E)-2-chloro-1-phenylprop-1-enoxy]-trimethylsilane
CID 11172518
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene?
The IUPAC name of [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene (CID 57127661) is [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene.
What is the SMILES notation for [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene?
The canonical SMILES for [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene is CC(C)=C(OC(=C(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene?
The InChIKey is PNKZBOFZPMFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-15(2)19(17-11-7-5-8-12-17)21-20(16(3)4)18-13-9-6-10-14-18/h5-14H,1-4H3.
What are the key properties of [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene?
[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene has a molecular weight of 278.39 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene is sourced from PubChem (CID 57127661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).