1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene

C12H16O — CID 145499218

IUPAC1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
SMILESCC/C=C/c1ccc(OC)cc1C
InChIInChI=1S/C12H16O/c1-4-5-6-11-7-8-12(13-3)9-10(11)2/h5-9H,4H2,1-3H3/b6-5+
InChIKeyPHZXWFUCLZCCFO-AATRIKPKSA-N
MW176.26 g/mol
LogP3.43
Rot. Bonds3

About 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene

1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene (PubChem CID 145499218) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
PubChem CID145499218
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
SMILESCC/C=C/c1ccc(OC)cc1C
InChIInChI=1S/C12H16O/c1-4-5-6-11-7-8-12(13-3)9-10(11)2/h5-9H,4H2,1-3H3/b6-5+
InChIKeyPHZXWFUCLZCCFO-AATRIKPKSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine
CID 79589795
1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
CID 121395712
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921
2-(4-bromobut-1-enyl)-4-methoxy-1-methylbenzene
CID 170497358
2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
CID 169476606
3-[(Z)-but-1-enyl]-2,5-dimethylfuran
CID 142881443
2-(3-aminoprop-1-enyl)-4-methoxyaniline
CID 169463650
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
[5-methoxy-2-[(E)-pent-1-enyl]phenyl]methanol
CID 10608356
1-methoxy-4-[(E)-pent-2-enoxy]benzene
CID 176585225

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene (CID 145499218) is 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene is CC/C=C/c1ccc(OC)cc1C.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene?
The InChIKey is PHZXWFUCLZCCFO-AATRIKPKSA-N. The full InChI is InChI=1S/C12H16O/c1-4-5-6-11-7-8-12(13-3)9-10(11)2/h5-9H,4H2,1-3H3/b6-5+.
What are the key properties of 1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene?
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.43, 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]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 145499218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).