3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde

C16H14O2 — CID 7343496

IUPAC3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
SMILESC=C[C@H](Oc1cccc(C=O)c1)c1ccccc1
InChIInChI=1S/C16H14O2/c1-2-16(14-8-4-3-5-9-14)18-15-10-6-7-13(11-15)12-17/h2-12,16H,1H2/t16-/m0/s1
InChIKeySEWKVMPRGMEBJO-INIZCTEOSA-N
MW238.29 g/mol
LogP3.81
Rot. Bonds5

About 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde

3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde (PubChem CID 7343496) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
PubChem CID7343496
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
SMILESC=C[C@H](Oc1cccc(C=O)c1)c1ccccc1
InChIInChI=1S/C16H14O2/c1-2-16(14-8-4-3-5-9-14)18-15-10-6-7-13(11-15)12-17/h2-12,16H,1H2/t16-/m0/s1
InChIKeySEWKVMPRGMEBJO-INIZCTEOSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxyprop-2-enylbenzene
CID 11735962
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
CID 68584569
3-hex-1-en-3-yloxybenzaldehyde
CID 73229567
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
CID 102722458
3-(1-pyridin-3-ylethoxy)benzaldehyde
CID 82037066
2-(3-formylphenoxy)benzoic acid
CID 87842152
bis(3-formylphenyl) oxalate
CID 10968521
3-(1,2,3-trifluoropropoxy)benzaldehyde
CID 21071549
(3-formylphenyl) formate
CID 58195323
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde?
The IUPAC name of 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde (CID 7343496) is 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde.
What is the SMILES notation for 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde?
The canonical SMILES for 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde is C=C[C@H](Oc1cccc(C=O)c1)c1ccccc1.
What is the InChIKey of 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde?
The InChIKey is SEWKVMPRGMEBJO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-16(14-8-4-3-5-9-14)18-15-10-6-7-13(11-15)12-17/h2-12,16H,1H2/t16-/m0/s1.
What are the key properties of 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde?
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde has a molecular weight of 238.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde is sourced from PubChem (CID 7343496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).