3-(3-phenylprop-2-enoxy)benzaldehyde

C16H14O2 — CID 53409573

IUPAC3-(3-phenylprop-2-enoxy)benzaldehyde
SMILESO=Cc1cccc(OCC=Cc2ccccc2)c1
InChIInChI=1S/C16H14O2/c17-13-15-8-4-10-16(12-15)18-11-5-9-14-6-2-1-3-7-14/h1-10,12-13H,11H2
InChIKeyHVDDIFSUJMSXNM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.59
Rot. Bonds5

About 3-(3-phenylprop-2-enoxy)benzaldehyde

3-(3-phenylprop-2-enoxy)benzaldehyde (PubChem CID 53409573) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name3-(3-phenylprop-2-enoxy)benzaldehyde
PubChem CID53409573
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-(3-phenylprop-2-enoxy)benzaldehyde
SMILESO=Cc1cccc(OCC=Cc2ccccc2)c1
InChIInChI=1S/C16H14O2/c17-13-15-8-4-10-16(12-15)18-11-5-9-14-6-2-1-3-7-14/h1-10,12-13H,11H2
InChIKeyHVDDIFSUJMSXNM-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-4-bromobut-2-enoxy]benzaldehyde
CID 91871997
[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
CID 43327904
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038
3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[(E)-3-[2,5-bis(trifluoromethyl)phenyl]prop-2-enoxy]benzaldehyde
CID 122475572
2,4-dioxo-4-[3-[(E)-3-phenylprop-2-enoxy]phenyl]butanoic acid
CID 6479000
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
3-(3-oxopropoxy)benzaldehyde
CID 63040628

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enoxy)benzaldehyde?
The IUPAC name of 3-(3-phenylprop-2-enoxy)benzaldehyde (CID 53409573) is 3-(3-phenylprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 3-(3-phenylprop-2-enoxy)benzaldehyde?
The canonical SMILES for 3-(3-phenylprop-2-enoxy)benzaldehyde is O=Cc1cccc(OCC=Cc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylprop-2-enoxy)benzaldehyde?
The InChIKey is HVDDIFSUJMSXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-13-15-8-4-10-16(12-15)18-11-5-9-14-6-2-1-3-7-14/h1-10,12-13H,11H2.
What are the key properties of 3-(3-phenylprop-2-enoxy)benzaldehyde?
3-(3-phenylprop-2-enoxy)benzaldehyde has a molecular weight of 238.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 53409573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).