1-[(E)-pent-2-enoxy]-2-phenylbenzene

C17H18O — CID 23726702

IUPAC1-[(E)-pent-2-enoxy]-2-phenylbenzene
SMILESCC/C=C/COc1ccccc1-c1ccccc1
InChIInChI=1S/C17H18O/c1-2-3-9-14-18-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h3-13H,2,14H2,1H3/b9-3+
InChIKeyPWBDIZSJLIEUJW-YCRREMRBSA-N
MW238.33 g/mol
LogP4.70
Rot. Bonds5

About 1-[(E)-pent-2-enoxy]-2-phenylbenzene

1-[(E)-pent-2-enoxy]-2-phenylbenzene (PubChem CID 23726702) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(E)-pent-2-enoxy]-2-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-pent-2-enoxy]-2-phenylbenzene
PubChem CID23726702
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[(E)-pent-2-enoxy]-2-phenylbenzene
SMILESCC/C=C/COc1ccccc1-c1ccccc1
InChIInChI=1S/C17H18O/c1-2-3-9-14-18-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h3-13H,2,14H2,1H3/b9-3+
InChIKeyPWBDIZSJLIEUJW-YCRREMRBSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.70
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

1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene
CID 23726770
2-ethyl-4-(2-phenylphenoxy)but-2-enoic acid
CID 77100511
1-octadecoxy-2-phenylbenzene
CID 70983974
1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
(2-methyl-3-pent-2-enoxyphenyl)methanol
CID 175150852
1-[2-(bromomethyl)-3-methylbutoxy]-2-phenylbenzene
CID 65011760
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
diethyl-[3-(2-phenylphenoxy)propyl]azanium
CID 2296595
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-enoxy]-2-phenylbenzene?
The IUPAC name of 1-[(E)-pent-2-enoxy]-2-phenylbenzene (CID 23726702) is 1-[(E)-pent-2-enoxy]-2-phenylbenzene.
What is the SMILES notation for 1-[(E)-pent-2-enoxy]-2-phenylbenzene?
The canonical SMILES for 1-[(E)-pent-2-enoxy]-2-phenylbenzene is CC/C=C/COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(E)-pent-2-enoxy]-2-phenylbenzene?
The InChIKey is PWBDIZSJLIEUJW-YCRREMRBSA-N. The full InChI is InChI=1S/C17H18O/c1-2-3-9-14-18-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h3-13H,2,14H2,1H3/b9-3+.
What are the key properties of 1-[(E)-pent-2-enoxy]-2-phenylbenzene?
1-[(E)-pent-2-enoxy]-2-phenylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-2-enoxy]-2-phenylbenzene is sourced from PubChem (CID 23726702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).