[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene

C11H14O — CID 10080688

IUPAC[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene
SMILESC/C=C/O[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-10H,1-2H3/b9-3+/t10-/m0/s1
InChIKeyVZABQUDXRWNCNB-RZCNENHTSA-N
MW162.23 g/mol
LogP3.30
Rot. Bonds3

About [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene

[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene (PubChem CID 10080688) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene.

Molecular Properties

Compound Name[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene
PubChem CID10080688
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene
SMILESC/C=C/O[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-10H,1-2H3/b9-3+/t10-/m0/s1
InChIKeyVZABQUDXRWNCNB-RZCNENHTSA-N
XLogP3.30
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 ≤ 53.30
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

[(1R)-1-phenylethyl] formate
CID 76963066
1-phenylethoxy-di(propan-2-yl)silane
CID 173140132
dimethyl-(1-phenylethyl)-prop-1-enoxyazanium chloride
CID 141122957
(E)-2-methyl-3-(1-phenylethoxy)prop-2-enal
CID 14668879
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
trimethyl-[(Z)-1-[(1S)-1-phenylethoxy]prop-1-en-2-yl]oxysilane
CID 10538674
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
CID 13358394
CID 13358394
trimethyl(1-phenylethoxy)silane
CID 519015
1-(disulfanyloxy)ethylbenzene
CID 139459005
bis(1-phenylethyl) 2-methyl-2-prop-1-enylpropanedioate
CID 140996033
1-bromoethylbenzene
CID 11454

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene?
The IUPAC name of [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene (CID 10080688) is [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene.
What is the SMILES notation for [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene?
The canonical SMILES for [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene is C/C=C/O[C@@H](C)c1ccccc1.
What is the InChIKey of [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene?
The InChIKey is VZABQUDXRWNCNB-RZCNENHTSA-N. The full InChI is InChI=1S/C11H14O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-10H,1-2H3/b9-3+/t10-/m0/s1.
What are the key properties of [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene?
[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene has a molecular weight of 162.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene is sourced from PubChem (CID 10080688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).