1-(4-ethylphenyl)ethanone;formaldehyde

C11H14O2 — CID 143666715

IUPAC1-(4-ethylphenyl)ethanone;formaldehyde
SMILESC=O.CCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O.CH2O/c1-3-9-4-6-10(7-5-9)8(2)11;1-2/h4-7H,3H2,1-2H3;1H2
InChIKeyHMRUUXJOYUVDPE-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.27
Rot. Bonds2

About 1-(4-ethylphenyl)ethanone;formaldehyde

1-(4-ethylphenyl)ethanone;formaldehyde (PubChem CID 143666715) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-ethylphenyl)ethanone;formaldehyde.

Molecular Properties

Compound Name1-(4-ethylphenyl)ethanone;formaldehyde
PubChem CID143666715
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(4-ethylphenyl)ethanone;formaldehyde
SMILESC=O.CCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O.CH2O/c1-3-9-4-6-10(7-5-9)8(2)11;1-2/h4-7H,3H2,1-2H3;1H2
InChIKeyHMRUUXJOYUVDPE-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde
CID 240
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Chalcone
CID 637760
Dibenzoylmethane
CID 8433

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)ethanone;formaldehyde?
The IUPAC name of 1-(4-ethylphenyl)ethanone;formaldehyde (CID 143666715) is 1-(4-ethylphenyl)ethanone;formaldehyde.
What is the SMILES notation for 1-(4-ethylphenyl)ethanone;formaldehyde?
The canonical SMILES for 1-(4-ethylphenyl)ethanone;formaldehyde is C=O.CCc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)ethanone;formaldehyde?
The InChIKey is HMRUUXJOYUVDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.CH2O/c1-3-9-4-6-10(7-5-9)8(2)11;1-2/h4-7H,3H2,1-2H3;1H2.
What are the key properties of 1-(4-ethylphenyl)ethanone;formaldehyde?
1-(4-ethylphenyl)ethanone;formaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)ethanone;formaldehyde is sourced from PubChem (CID 143666715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).