1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene

C25H32O2 — CID 144907753

IUPAC1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
SMILESC=CCc1cc(C(C)(C)c2ccc(OCCOC)c(CC=C)c2)ccc1C
InChIInChI=1S/C25H32O2/c1-7-9-20-17-22(12-11-19(20)3)25(4,5)23-13-14-24(27-16-15-26-6)21(18-23)10-8-2/h7-8,11-14,17-18H,1-2,9-10,15-16H2,3-6H3
InChIKeyJJKZSAIIXYGQNH-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.80
Rot. Bonds10

About 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene

1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene (PubChem CID 144907753) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
PubChem CID144907753
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
SMILESC=CCc1cc(C(C)(C)c2ccc(OCCOC)c(CC=C)c2)ccc1C
InChIInChI=1S/C25H32O2/c1-7-9-20-17-22(12-11-19(20)3)25(4,5)23-13-14-24(27-16-15-26-6)21(18-23)10-8-2/h7-8,11-14,17-18H,1-2,9-10,15-16H2,3-6H3
InChIKeyJJKZSAIIXYGQNH-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
1-O-methyl 3-O-[4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] benzene-1,3-dicarboxylate
CID 22898031
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;ethane
CID 145491393
N-(3-methoxypropyl)-4-(4-methyl-2-prop-2-enylphenoxy)butan-1-amine
CID 2581626
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
2-(bromomethyl)-4-[2-[3-(bromomethyl)-4-methoxyphenyl]propan-2-yl]-1-methylbenzene
CID 20821575
ethanol;2-[4-[2-[4-[2-hydroxy-2-methyl-3-(4-methylsulfanylbenzoyl)oxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]ethyl 4-methylsulfanylbenzoate
CID 159370649
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128
anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 159233656

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene (CID 144907753) is 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene is C=CCc1cc(C(C)(C)c2ccc(OCCOC)c(CC=C)c2)ccc1C.
What is the InChIKey of 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
The InChIKey is JJKZSAIIXYGQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-7-9-20-17-22(12-11-19(20)3)25(4,5)23-13-14-24(27-16-15-26-6)21(18-23)10-8-2/h7-8,11-14,17-18H,1-2,9-10,15-16H2,3-6H3.
What are the key properties of 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene has a molecular weight of 364.53 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene is sourced from PubChem (CID 144907753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).