1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene

C18H26O2 — CID 177256799

IUPAC1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene
SMILESC=CC[C@@H](C)c1cc(OC)c(C)cc1OC(C)(C)C=C
InChIInChI=1S/C18H26O2/c1-8-10-13(3)15-12-16(19-7)14(4)11-17(15)20-18(5,6)9-2/h8-9,11-13H,1-2,10H2,3-7H3/t13-/m1/s1
InChIKeySAASUEHBEWANNA-CYBMUJFWSA-N
MW274.40 g/mol
LogP5.03
Rot. Bonds7

About 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene

1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene (PubChem CID 177256799) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene
PubChem CID177256799
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene
SMILESC=CC[C@@H](C)c1cc(OC)c(C)cc1OC(C)(C)C=C
InChIInChI=1S/C18H26O2/c1-8-10-13(3)15-12-16(19-7)14(4)11-17(15)20-18(5,6)9-2/h8-9,11-13H,1-2,10H2,3-7H3/t13-/m1/s1
InChIKeySAASUEHBEWANNA-CYBMUJFWSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-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

1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene
CID 24895083
2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
CID 83941974
(4R)-4-(2,5-dimethoxy-4-methylphenyl)pentanal
CID 54589628
1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene
CID 72701251
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
ethyl 3-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-5-methoxy-4-methylphenyl]pent-4-enoate
CID 11660065
N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine
CID 71182661
3-(5-bromo-4-methoxy-2-methylphenyl)butanal
CID 117430347
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene?
The IUPAC name of 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene (CID 177256799) is 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene is C=CC[C@@H](C)c1cc(OC)c(C)cc1OC(C)(C)C=C.
What is the InChIKey of 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene?
The InChIKey is SAASUEHBEWANNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26O2/c1-8-10-13(3)15-12-16(19-7)14(4)11-17(15)20-18(5,6)9-2/h8-9,11-13H,1-2,10H2,3-7H3/t13-/m1/s1.
What are the key properties of 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene?
1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene has a molecular weight of 274.40 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene is sourced from PubChem (CID 177256799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).