2-(2-prop-2-enylphenyl)acetaldehyde

C11H12O — CID 134852101

IUPAC2-(2-prop-2-enylphenyl)acetaldehyde
SMILESC=CCc1ccccc1CC=O
InChIInChI=1S/C11H12O/c1-2-5-10-6-3-4-7-11(10)8-9-12/h2-4,6-7,9H,1,5,8H2
InChIKeyZZPVWGWBIXHQLD-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-prop-2-enylphenyl)acetaldehyde

2-(2-prop-2-enylphenyl)acetaldehyde (PubChem CID 134852101) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-prop-2-enylphenyl)acetaldehyde
PubChem CID134852101
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-(2-prop-2-enylphenyl)acetaldehyde
SMILESC=CCc1ccccc1CC=O
InChIInChI=1S/C11H12O/c1-2-5-10-6-3-4-7-11(10)8-9-12/h2-4,6-7,9H,1,5,8H2
InChIKeyZZPVWGWBIXHQLD-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
(2-prop-2-enylphenyl)methyl formate
CID 173226102
2-[2-(aminomethyl)phenyl]acetaldehyde
CID 20545258
1-prop-2-enyl-2-propylbenzene
CID 12585186
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-prop-2-enylaniline
CID 3036592
1-(ethynoxymethyl)-2-prop-2-enylbenzene
CID 164817819
2-prop-2-enylbenzoic acid
CID 2752991
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
1-butyl-2-prop-2-enylbenzene
CID 18786435
2-[2-(methylaminomethyl)phenyl]acetaldehyde
CID 54060686
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenyl)acetaldehyde?
The IUPAC name of 2-(2-prop-2-enylphenyl)acetaldehyde (CID 134852101) is 2-(2-prop-2-enylphenyl)acetaldehyde.
What is the SMILES notation for 2-(2-prop-2-enylphenyl)acetaldehyde?
The canonical SMILES for 2-(2-prop-2-enylphenyl)acetaldehyde is C=CCc1ccccc1CC=O.
What is the InChIKey of 2-(2-prop-2-enylphenyl)acetaldehyde?
The InChIKey is ZZPVWGWBIXHQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-5-10-6-3-4-7-11(10)8-9-12/h2-4,6-7,9H,1,5,8H2.
What are the key properties of 2-(2-prop-2-enylphenyl)acetaldehyde?
2-(2-prop-2-enylphenyl)acetaldehyde has a molecular weight of 160.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenyl)acetaldehyde is sourced from PubChem (CID 134852101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).