[(1Z)-3-methoxybuta-1,3-dienyl]benzene

C11H12O — CID 24972289

IUPAC[(1Z)-3-methoxybuta-1,3-dienyl]benzene
SMILESC=C(/C=C\c1ccccc1)OC
InChIInChI=1S/C11H12O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-9H,1H2,2H3/b9-8-
InChIKeyNRRQXLYOHDBBBS-HJWRWDBZSA-N
MW160.22 g/mol
LogP2.86
Rot. Bonds3

About [(1Z)-3-methoxybuta-1,3-dienyl]benzene

[(1Z)-3-methoxybuta-1,3-dienyl]benzene (PubChem CID 24972289) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is [(1Z)-3-methoxybuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-3-methoxybuta-1,3-dienyl]benzene
PubChem CID24972289
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name[(1Z)-3-methoxybuta-1,3-dienyl]benzene
SMILESC=C(/C=C\c1ccccc1)OC
InChIInChI=1S/C11H12O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-9H,1H2,2H3/b9-8-
InChIKeyNRRQXLYOHDBBBS-HJWRWDBZSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
CID 144568960
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate
CID 12987045
trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane
CID 85401954
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
CID 175667798
CID 175667798
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
methyl (E,2E)-2-benzylidene-4-phenylbut-3-enoate
CID 23634618
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
methyl 2-methylprop-2-enoate;3-(2-phenylethenyl)hexa-1,3,5-trienylbenzene
CID 88501534

Frequently Asked Questions

What is the IUPAC name of [(1Z)-3-methoxybuta-1,3-dienyl]benzene?
The IUPAC name of [(1Z)-3-methoxybuta-1,3-dienyl]benzene (CID 24972289) is [(1Z)-3-methoxybuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z)-3-methoxybuta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z)-3-methoxybuta-1,3-dienyl]benzene is C=C(/C=C\c1ccccc1)OC.
What is the InChIKey of [(1Z)-3-methoxybuta-1,3-dienyl]benzene?
The InChIKey is NRRQXLYOHDBBBS-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H12O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-9H,1H2,2H3/b9-8-.
What are the key properties of [(1Z)-3-methoxybuta-1,3-dienyl]benzene?
[(1Z)-3-methoxybuta-1,3-dienyl]benzene has a molecular weight of 160.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-3-methoxybuta-1,3-dienyl]benzene is sourced from PubChem (CID 24972289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).