1-methyl-4-propa-1,2-dienoxybenzene

C10H10O — CID 86151206

IUPAC1-methyl-4-propa-1,2-dienoxybenzene
SMILESC=C=COc1ccc(C)cc1
InChIInChI=1S/C10H10O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-8H,1H2,2H3
InChIKeyOWUZNMJAFZQOHJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.67
Rot. Bonds2

About 1-methyl-4-propa-1,2-dienoxybenzene

1-methyl-4-propa-1,2-dienoxybenzene (PubChem CID 86151206) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methyl-4-propa-1,2-dienoxybenzene.

Molecular Properties

Compound Name1-methyl-4-propa-1,2-dienoxybenzene
PubChem CID86151206
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-methyl-4-propa-1,2-dienoxybenzene
SMILESC=C=COc1ccc(C)cc1
InChIInChI=1S/C10H10O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-8H,1H2,2H3
InChIKeyOWUZNMJAFZQOHJ-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.67
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

1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene
CID 14597339
ethane;(4-methylphenyl) N-methylmethanimidate
CID 91602622
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-(113C)methoxy-4-methylbenzene
CID 166176950
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-ethoxy-4-methylbenzene;yttrium
CID 59970582
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
phosphane;tris(4-methylphenyl) phosphite
CID 174494653
1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
CID 578552
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-ethenoxy-4-(4-ethenoxyphenyl)benzene
CID 58944287

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propa-1,2-dienoxybenzene?
The IUPAC name of 1-methyl-4-propa-1,2-dienoxybenzene (CID 86151206) is 1-methyl-4-propa-1,2-dienoxybenzene.
What is the SMILES notation for 1-methyl-4-propa-1,2-dienoxybenzene?
The canonical SMILES for 1-methyl-4-propa-1,2-dienoxybenzene is C=C=COc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-propa-1,2-dienoxybenzene?
The InChIKey is OWUZNMJAFZQOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-8H,1H2,2H3.
What are the key properties of 1-methyl-4-propa-1,2-dienoxybenzene?
1-methyl-4-propa-1,2-dienoxybenzene has a molecular weight of 146.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propa-1,2-dienoxybenzene is sourced from PubChem (CID 86151206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).