but-2-enoxybenzene

C10H12O — CID 564963

IUPACbut-2-enoxybenzene
SMILESCC=CCOc1ccccc1
InChIInChI=1S/C10H12O/c1-2-3-9-11-10-7-5-4-6-8-10/h2-8H,9H2,1H3
InChIKeyUSBQRZMRUABNHR-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.64
Rot. Bonds3

About but-2-enoxybenzene

but-2-enoxybenzene (PubChem CID 564963) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is but-2-enoxybenzene.

Molecular Properties

Compound Namebut-2-enoxybenzene
PubChem CID564963
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Namebut-2-enoxybenzene
SMILESCC=CCOc1ccccc1
InChIInChI=1S/C10H12O/c1-2-3-9-11-10-7-5-4-6-8-10/h2-8H,9H2,1H3
InChIKeyUSBQRZMRUABNHR-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hexa-2,4-dienoxybenzene;titanium
CID 87665934
1-[(E)-but-2-enoxy]-4-iodobenzene
CID 87803030
but-2-enylperoxybenzene
CID 159061955
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
(E)-N-methyl-4-phenoxybut-2-en-1-amine
CID 112547311
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
4-phenoxybut-2-en-1-amine
CID 68864521
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745
(3-but-2-enoxyphenyl)-trifluoroboranuide
CID 77016963
[4-[(Z)-but-2-enoxy]phenyl]boronic acid
CID 99880540
triethyl(3-phenoxyprop-1-enyl)silane
CID 23265308
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117

Frequently Asked Questions

What is the IUPAC name of but-2-enoxybenzene?
The IUPAC name of but-2-enoxybenzene (CID 564963) is but-2-enoxybenzene.
What is the SMILES notation for but-2-enoxybenzene?
The canonical SMILES for but-2-enoxybenzene is CC=CCOc1ccccc1.
What is the InChIKey of but-2-enoxybenzene?
The InChIKey is USBQRZMRUABNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-3-9-11-10-7-5-4-6-8-10/h2-8H,9H2,1H3.
What are the key properties of but-2-enoxybenzene?
but-2-enoxybenzene has a molecular weight of 148.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoxybenzene is sourced from PubChem (CID 564963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).