2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde

C16H16O3 — CID 87722000

IUPAC2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
SMILESCOc1cccc(-c2ccccc2CC=O)c1OC
InChIInChI=1S/C16H16O3/c1-18-15-9-5-8-14(16(15)19-2)13-7-4-3-6-12(13)10-11-17/h3-9,11H,10H2,1-2H3
InChIKeyDNJCQBMGJUYYIX-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde

2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde (PubChem CID 87722000) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
PubChem CID87722000
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
SMILESCOc1cccc(-c2ccccc2CC=O)c1OC
InChIInChI=1S/C16H16O3/c1-18-15-9-5-8-14(16(15)19-2)13-7-4-3-6-12(13)10-11-17/h3-9,11H,10H2,1-2H3
InChIKeyDNJCQBMGJUYYIX-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,3-dimethoxyphenyl)phenyl]-N-methylacetamide
CID 11822216
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
2-(3-methoxy-2-phenylphenyl)acetaldehyde
CID 88653150
propanal;1,2,3-trimethoxybenzene
CID 174975216
2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
CID 87769884
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
CID 163403698
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
1,2-dimethoxybenzene;propanal
CID 174258099
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]acetaldehyde
CID 12701133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde (CID 87722000) is 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde is COc1cccc(-c2ccccc2CC=O)c1OC.
What is the InChIKey of 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde?
The InChIKey is DNJCQBMGJUYYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-9-5-8-14(16(15)19-2)13-7-4-3-6-12(13)10-11-17/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde?
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde is sourced from PubChem (CID 87722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).