methanol;3-methylbuta-1,3-dien-2-yloxybenzene

C12H16O2 — CID 157443112

IUPACmethanol;3-methylbuta-1,3-dien-2-yloxybenzene
SMILESC=C(C)C(=C)Oc1ccccc1.CO
InChIInChI=1S/C11H12O.CH4O/c1-9(2)10(3)12-11-7-5-4-6-8-11;1-2/h4-8H,1,3H2,2H3;2H,1H3
InChIKeyBRXDWZYQSRZDTE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.76
Rot. Bonds3

About methanol;3-methylbuta-1,3-dien-2-yloxybenzene

methanol;3-methylbuta-1,3-dien-2-yloxybenzene (PubChem CID 157443112) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is methanol;3-methylbuta-1,3-dien-2-yloxybenzene.

Molecular Properties

Compound Namemethanol;3-methylbuta-1,3-dien-2-yloxybenzene
PubChem CID157443112
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethanol;3-methylbuta-1,3-dien-2-yloxybenzene
SMILESC=C(C)C(=C)Oc1ccccc1.CO
InChIInChI=1S/C11H12O.CH4O/c1-9(2)10(3)12-11-7-5-4-6-8-11;1-2/h4-8H,1,3H2,2H3;2H,1H3
InChIKeyBRXDWZYQSRZDTE-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-phenoxyprop-2-enoate
CID 141223374
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
2-phenoxyprop-2-enethioic S-acid
CID 156524752
1-methoxyethenoxybenzene
CID 57063667
phenyl (4-prop-1-en-2-ylphenyl) carbonate
CID 154230592
iodo 2-phenoxyprop-2-enoate
CID 163654850
S-amino 2-phenoxyprop-2-enethioate
CID 152902947
methyl 2-phenoxyprop-2-enoate;toluene
CID 174856414
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
1-methoxy-4-(1-phenoxyethenyl)benzene
CID 89029241
anisole;2-nitroprop-1-ene
CID 174270920
phenyl acetate;hydroiodide
CID 172788123

Frequently Asked Questions

What is the IUPAC name of methanol;3-methylbuta-1,3-dien-2-yloxybenzene?
The IUPAC name of methanol;3-methylbuta-1,3-dien-2-yloxybenzene (CID 157443112) is methanol;3-methylbuta-1,3-dien-2-yloxybenzene.
What is the SMILES notation for methanol;3-methylbuta-1,3-dien-2-yloxybenzene?
The canonical SMILES for methanol;3-methylbuta-1,3-dien-2-yloxybenzene is C=C(C)C(=C)Oc1ccccc1.CO.
What is the InChIKey of methanol;3-methylbuta-1,3-dien-2-yloxybenzene?
The InChIKey is BRXDWZYQSRZDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.CH4O/c1-9(2)10(3)12-11-7-5-4-6-8-11;1-2/h4-8H,1,3H2,2H3;2H,1H3.
What are the key properties of methanol;3-methylbuta-1,3-dien-2-yloxybenzene?
methanol;3-methylbuta-1,3-dien-2-yloxybenzene has a molecular weight of 192.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methylbuta-1,3-dien-2-yloxybenzene is sourced from PubChem (CID 157443112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).