2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde

C24H18O2 — CID 172649681

IUPAC2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C24H18O2/c25-16-22-12-13-23(26-17-18-6-2-1-3-7-18)15-24(22)21-11-10-19-8-4-5-9-20(19)14-21/h1-16H,17H2
InChIKeyLWBVGBQIQFZHKR-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.90
Rot. Bonds5

About 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde

2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde (PubChem CID 172649681) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
PubChem CID172649681
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C24H18O2/c25-16-22-12-13-23(26-17-18-6-2-1-3-7-18)15-24(22)21-11-10-19-8-4-5-9-20(19)14-21/h1-16H,17H2
InChIKeyLWBVGBQIQFZHKR-UHFFFAOYSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.90
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-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
2-naphthalen-2-yl-4-phenylbenzaldehyde
CID 152589859
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde (CID 172649681) is 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde is O=Cc1ccc(OCc2ccccc2)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde?
The InChIKey is LWBVGBQIQFZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c25-16-22-12-13-23(26-17-18-6-2-1-3-7-18)15-24(22)21-11-10-19-8-4-5-9-20(19)14-21/h1-16H,17H2.
What are the key properties of 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde?
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde has a molecular weight of 338.41 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172649681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).