1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene

C24H30O2 — CID 24895083

IUPAC1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene
SMILESC=CCC(C)c1cc(OCc2ccccc2)c(C)cc1OC(C)(C)C=C
InChIInChI=1S/C24H30O2/c1-7-12-18(3)21-16-22(25-17-20-13-10-9-11-14-20)19(4)15-23(21)26-24(5,6)8-2/h7-11,13-16,18H,1-2,12,17H2,3-6H3
InChIKeyGVDNUZCLMDXBEA-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.60
Rot. Bonds9

About 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene

1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene (PubChem CID 24895083) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene
PubChem CID24895083
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene
SMILESC=CCC(C)c1cc(OCc2ccccc2)c(C)cc1OC(C)(C)C=C
InChIInChI=1S/C24H30O2/c1-7-12-18(3)21-16-22(25-17-20-13-10-9-11-14-20)19(4)15-23(21)26-24(5,6)8-2/h7-11,13-16,18H,1-2,12,17H2,3-6H3
InChIKeyGVDNUZCLMDXBEA-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene
CID 177256799
1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene
CID 163960697
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene
CID 170000022
3-[2,4-bis(phenylmethoxy)phenyl]butanal
CID 138513595
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
CID 139603519
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171210412

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene?
The IUPAC name of 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene (CID 24895083) is 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene?
The canonical SMILES for 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene is C=CCC(C)c1cc(OCc2ccccc2)c(C)cc1OC(C)(C)C=C.
What is the InChIKey of 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene?
The InChIKey is GVDNUZCLMDXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-7-12-18(3)21-16-22(25-17-20-13-10-9-11-14-20)19(4)15-23(21)26-24(5,6)8-2/h7-11,13-16,18H,1-2,12,17H2,3-6H3.
What are the key properties of 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene?
1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene has a molecular weight of 350.50 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene is sourced from PubChem (CID 24895083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).