1-[(E)-but-1-enyl]-3-methoxybenzene

C11H14O — CID 5382989

IUPAC1-[(E)-but-1-enyl]-3-methoxybenzene
SMILESCC/C=C/c1cccc(OC)c1
InChIInChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(9-10)12-2/h4-9H,3H2,1-2H3/b6-4+
InChIKeyMICVIRQDJAHYCO-GQCTYLIASA-N
MW162.23 g/mol
LogP3.12
Rot. Bonds3

About 1-[(E)-but-1-enyl]-3-methoxybenzene

1-[(E)-but-1-enyl]-3-methoxybenzene (PubChem CID 5382989) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-methoxybenzene
PubChem CID5382989
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-[(E)-but-1-enyl]-3-methoxybenzene
SMILESCC/C=C/c1cccc(OC)c1
InChIInChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(9-10)12-2/h4-9H,3H2,1-2H3/b6-4+
InChIKeyMICVIRQDJAHYCO-GQCTYLIASA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(E)-6-(3-methoxyphenyl)hex-5-en-3-one
CID 71490780
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
5-(3-methoxyphenyl)pent-4-en-1-ynyl-trimethylsilane
CID 68705662
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
but-1-enylbenzene;phenoxybenzene
CID 175609674
S-[4-(3-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479718
1-bromo-3-[(E)-but-1-enyl]benzene
CID 22159609
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-methoxybenzene?
The IUPAC name of 1-[(E)-but-1-enyl]-3-methoxybenzene (CID 5382989) is 1-[(E)-but-1-enyl]-3-methoxybenzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-methoxybenzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-methoxybenzene is CC/C=C/c1cccc(OC)c1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-methoxybenzene?
The InChIKey is MICVIRQDJAHYCO-GQCTYLIASA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(9-10)12-2/h4-9H,3H2,1-2H3/b6-4+.
What are the key properties of 1-[(E)-but-1-enyl]-3-methoxybenzene?
1-[(E)-but-1-enyl]-3-methoxybenzene has a molecular weight of 162.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-methoxybenzene is sourced from PubChem (CID 5382989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).