2-(3-methoxy-2-phenylphenyl)acetaldehyde

C15H14O2 — CID 88653150

IUPAC2-(3-methoxy-2-phenylphenyl)acetaldehyde
SMILESCOc1cccc(CC=O)c1-c1ccccc1
InChIInChI=1S/C15H14O2/c1-17-14-9-5-8-13(10-11-16)15(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyXURAJNOSUFMTJL-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds4

About 2-(3-methoxy-2-phenylphenyl)acetaldehyde

2-(3-methoxy-2-phenylphenyl)acetaldehyde (PubChem CID 88653150) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-methoxy-2-phenylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-2-phenylphenyl)acetaldehyde
PubChem CID88653150
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-(3-methoxy-2-phenylphenyl)acetaldehyde
SMILESCOc1cccc(CC=O)c1-c1ccccc1
InChIInChI=1S/C15H14O2/c1-17-14-9-5-8-13(10-11-16)15(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyXURAJNOSUFMTJL-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
CID 87722000
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
CID 159925855
CID 159925855
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
1,2-dimethoxybenzene;propanal
CID 174258099
1,5-bis[2-(4-hydroxyphenyl)-3-methoxyphenyl]pentane-2,4-dione
CID 23093450
(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane
CID 141346597
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-phenylphenyl)acetaldehyde?
The IUPAC name of 2-(3-methoxy-2-phenylphenyl)acetaldehyde (CID 88653150) is 2-(3-methoxy-2-phenylphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-methoxy-2-phenylphenyl)acetaldehyde?
The canonical SMILES for 2-(3-methoxy-2-phenylphenyl)acetaldehyde is COc1cccc(CC=O)c1-c1ccccc1.
What is the InChIKey of 2-(3-methoxy-2-phenylphenyl)acetaldehyde?
The InChIKey is XURAJNOSUFMTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-17-14-9-5-8-13(10-11-16)15(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 2-(3-methoxy-2-phenylphenyl)acetaldehyde?
2-(3-methoxy-2-phenylphenyl)acetaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-phenylphenyl)acetaldehyde is sourced from PubChem (CID 88653150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).