2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde

C16H16O3 — CID 87552555

IUPAC2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
SMILESCOC(C=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-18-16(11-17)14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13/h2-11,16H,12H2,1H3
InChIKeyQCKWPLRXNMIQFN-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.15
Rot. Bonds6

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

2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde (PubChem CID 87552555) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
PubChem CID87552555
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
SMILESCOC(C=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-18-16(11-17)14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13/h2-11,16H,12H2,1H3
InChIKeyQCKWPLRXNMIQFN-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.15
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

3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834538
[(2R)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834539
N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
CID 105163254

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde?
The IUPAC name of 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde (CID 87552555) is 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde?
The canonical SMILES for 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde is COC(C=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde?
The InChIKey is QCKWPLRXNMIQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-16(11-17)14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13/h2-11,16H,12H2,1H3.
What are the key properties of 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde?
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde is sourced from PubChem (CID 87552555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).