2-[2-(3-ethylphenyl)phenyl]acetaldehyde

C16H16O — CID 87253918

IUPAC2-[2-(3-ethylphenyl)phenyl]acetaldehyde
SMILESCCc1cccc(-c2ccccc2CC=O)c1
InChIInChI=1S/C16H16O/c1-2-13-6-5-8-15(12-13)16-9-4-3-7-14(16)10-11-17/h3-9,11-12H,2,10H2,1H3
InChIKeyYCRCIRYTTBKDRC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.66
Rot. Bonds4

About 2-[2-(3-ethylphenyl)phenyl]acetaldehyde

2-[2-(3-ethylphenyl)phenyl]acetaldehyde (PubChem CID 87253918) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(3-ethylphenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-ethylphenyl)phenyl]acetaldehyde
PubChem CID87253918
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-[2-(3-ethylphenyl)phenyl]acetaldehyde
SMILESCCc1cccc(-c2ccccc2CC=O)c1
InChIInChI=1S/C16H16O/c1-2-13-6-5-8-15(12-13)16-9-4-3-7-14(16)10-11-17/h3-9,11-12H,2,10H2,1H3
InChIKeyYCRCIRYTTBKDRC-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-phenylphenyl)phenyl]acetaldehyde
CID 87253874
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
CID 87769884
1-ethyl-3-phenylbenzene;propane
CID 145466525
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
CID 101302583
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
3-(3-ethylphenyl)-1H-pyridin-2-one
CID 57202866
N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 69337322
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylphenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(3-ethylphenyl)phenyl]acetaldehyde (CID 87253918) is 2-[2-(3-ethylphenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(3-ethylphenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(3-ethylphenyl)phenyl]acetaldehyde is CCc1cccc(-c2ccccc2CC=O)c1.
What is the InChIKey of 2-[2-(3-ethylphenyl)phenyl]acetaldehyde?
The InChIKey is YCRCIRYTTBKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-13-6-5-8-15(12-13)16-9-4-3-7-14(16)10-11-17/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 2-[2-(3-ethylphenyl)phenyl]acetaldehyde?
2-[2-(3-ethylphenyl)phenyl]acetaldehyde has a molecular weight of 224.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylphenyl)phenyl]acetaldehyde is sourced from PubChem (CID 87253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).