4-phenylmethoxynaphthalene-2-carbaldehyde

C18H14O2 — CID 71757507

IUPAC4-phenylmethoxynaphthalene-2-carbaldehyde
SMILESO=Cc1cc(OCc2ccccc2)c2ccccc2c1
InChIInChI=1S/C18H14O2/c19-12-15-10-16-8-4-5-9-17(16)18(11-15)20-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyBIQRGAYGWFPENO-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.23
Rot. Bonds4

About 4-phenylmethoxynaphthalene-2-carbaldehyde

4-phenylmethoxynaphthalene-2-carbaldehyde (PubChem CID 71757507) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-phenylmethoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-phenylmethoxynaphthalene-2-carbaldehyde
PubChem CID71757507
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name4-phenylmethoxynaphthalene-2-carbaldehyde
SMILESO=Cc1cc(OCc2ccccc2)c2ccccc2c1
InChIInChI=1S/C18H14O2/c19-12-15-10-16-8-4-5-9-17(16)18(11-15)20-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyBIQRGAYGWFPENO-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.23
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

3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
CID 46909849
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(3-ethoxy-5-formyl-2-phenylmethoxyphenyl)boronic acid
CID 167726759
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
CID 162531112

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxynaphthalene-2-carbaldehyde?
The IUPAC name of 4-phenylmethoxynaphthalene-2-carbaldehyde (CID 71757507) is 4-phenylmethoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-phenylmethoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 4-phenylmethoxynaphthalene-2-carbaldehyde is O=Cc1cc(OCc2ccccc2)c2ccccc2c1.
What is the InChIKey of 4-phenylmethoxynaphthalene-2-carbaldehyde?
The InChIKey is BIQRGAYGWFPENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-12-15-10-16-8-4-5-9-17(16)18(11-15)20-13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 4-phenylmethoxynaphthalene-2-carbaldehyde?
4-phenylmethoxynaphthalene-2-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 71757507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).