1-methoxybut-1-enylbenzene

C11H14O — CID 69305429

IUPAC1-methoxybut-1-enylbenzene
SMILESCCC=C(OC)c1ccccc1
InChIInChI=1S/C11H14O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h4-9H,3H2,1-2H3
InChIKeyUSRMPVDZZYGQCP-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.08
Rot. Bonds3

About 1-methoxybut-1-enylbenzene

1-methoxybut-1-enylbenzene (PubChem CID 69305429) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methoxybut-1-enylbenzene.

Molecular Properties

Compound Name1-methoxybut-1-enylbenzene
PubChem CID69305429
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-methoxybut-1-enylbenzene
SMILESCCC=C(OC)c1ccccc1
InChIInChI=1S/C11H14O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h4-9H,3H2,1-2H3
InChIKeyUSRMPVDZZYGQCP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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

[(Z)-3-methoxy-3-phenylprop-2-enyl]-trimethylsilane
CID 134979100
(Z)-4-methoxy-4-phenylbut-3-enenitrile
CID 13065937
(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
CID 163923579
(Z)-7-methoxy-7-phenylhept-6-en-2-one
CID 100946069
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
methyl N-(1-phenylbut-1-enyl)carbamate
CID 131886313
1-bromobut-1-enylbenzene
CID 73187599
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
1,1-dimethyl-2-[(E)-1-phenylbut-1-enyl]hydrazine
CID 101358658
2-[(Z)-2-methoxy-2-phenylethenyl]aniline
CID 70402722
[(Z)-1-methoxy-2-nitroethenyl]benzene
CID 134895060

Frequently Asked Questions

What is the IUPAC name of 1-methoxybut-1-enylbenzene?
The IUPAC name of 1-methoxybut-1-enylbenzene (CID 69305429) is 1-methoxybut-1-enylbenzene.
What is the SMILES notation for 1-methoxybut-1-enylbenzene?
The canonical SMILES for 1-methoxybut-1-enylbenzene is CCC=C(OC)c1ccccc1.
What is the InChIKey of 1-methoxybut-1-enylbenzene?
The InChIKey is USRMPVDZZYGQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h4-9H,3H2,1-2H3.
What are the key properties of 1-methoxybut-1-enylbenzene?
1-methoxybut-1-enylbenzene has a molecular weight of 162.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-1-enylbenzene is sourced from PubChem (CID 69305429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).