2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde

C20H14Cl2O2 — CID 172993959

IUPAC2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
SMILESO=Cc1c(OCc2ccccc2)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H14Cl2O2/c21-16-9-15(10-17(22)11-16)18-7-4-8-20(19(18)12-23)24-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyBUAQWUMNDPGRAF-UHFFFAOYSA-N
MW357.24 g/mol
LogP6.05
Rot. Bonds5

About 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde

2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde (PubChem CID 172993959) has the molecular formula C20H14Cl2O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
PubChem CID172993959
Molecular FormulaC20H14Cl2O2
Molecular Weight357.24 g/mol
Exact Mass356.04
IUPAC Name2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
SMILESO=Cc1c(OCc2ccccc2)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H14Cl2O2/c21-16-9-15(10-17(22)11-16)18-7-4-8-20(19(18)12-23)24-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyBUAQWUMNDPGRAF-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 56.05
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-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 172993957
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 172993950
tert-butyl 4-(2-formyl-3-phenylmethoxyphenyl)benzoate
CID 178183494
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-(1-cyclobutylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993923
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
2-(1-hexylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993928
2-[1-(cyclobutylmethyl)pyrazol-4-yl]-6-phenylmethoxybenzaldehyde
CID 172993925
2-(2-formyl-3-phenylmethoxyphenoxy)acetamide
CID 176997821
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
ethyl 2-[4-(2-formyl-3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
CID 172993917

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde (CID 172993959) is 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde is O=Cc1c(OCc2ccccc2)cccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde?
The InChIKey is BUAQWUMNDPGRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O2/c21-16-9-15(10-17(22)11-16)18-7-4-8-20(19(18)12-23)24-13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde?
2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde has a molecular weight of 357.24 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172993959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).