1-ethoxy-4-(1-phenylprop-2-enyl)benzene

C17H18O — CID 57277088

IUPAC1-ethoxy-4-(1-phenylprop-2-enyl)benzene
SMILESC=CC(c1ccccc1)c1ccc(OCC)cc1
InChIInChI=1S/C17H18O/c1-3-17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)18-4-2/h3,5-13,17H,1,4H2,2H3
InChIKeyQNLBGVMJVRPUNH-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.40
Rot. Bonds5

About 1-ethoxy-4-(1-phenylprop-2-enyl)benzene

1-ethoxy-4-(1-phenylprop-2-enyl)benzene (PubChem CID 57277088) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethoxy-4-(1-phenylprop-2-enyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(1-phenylprop-2-enyl)benzene
PubChem CID57277088
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-ethoxy-4-(1-phenylprop-2-enyl)benzene
SMILESC=CC(c1ccccc1)c1ccc(OCC)cc1
InChIInChI=1S/C17H18O/c1-3-17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)18-4-2/h3,5-13,17H,1,4H2,2H3
InChIKeyQNLBGVMJVRPUNH-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
ethoxybenzene chloride
CID 21193593
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
ethoxybenzene;molecular iodine
CID 67763605
1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
CID 18518445
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
2-(4-ethoxyphenyl)propanedial
CID 3698706
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(1-phenylprop-2-enyl)benzene?
The IUPAC name of 1-ethoxy-4-(1-phenylprop-2-enyl)benzene (CID 57277088) is 1-ethoxy-4-(1-phenylprop-2-enyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(1-phenylprop-2-enyl)benzene?
The canonical SMILES for 1-ethoxy-4-(1-phenylprop-2-enyl)benzene is C=CC(c1ccccc1)c1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-(1-phenylprop-2-enyl)benzene?
The InChIKey is QNLBGVMJVRPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)18-4-2/h3,5-13,17H,1,4H2,2H3.
What are the key properties of 1-ethoxy-4-(1-phenylprop-2-enyl)benzene?
1-ethoxy-4-(1-phenylprop-2-enyl)benzene has a molecular weight of 238.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(1-phenylprop-2-enyl)benzene is sourced from PubChem (CID 57277088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).