4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde

C24H17FO3 — CID 54464175

IUPAC4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde
SMILESCOc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C24H17FO3/c1-27-21-11-13-23-18(14-21)6-12-22(17-4-7-19(25)8-5-17)24(23)28-20-9-2-16(15-26)3-10-20/h2-15H,1H3
InChIKeyXDRVKWTVSKDODQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP6.26
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde

4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde (PubChem CID 54464175) has the molecular formula C24H17FO3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde
PubChem CID54464175
Molecular FormulaC24H17FO3
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC Name4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde
SMILESCOc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C24H17FO3/c1-27-21-11-13-23-18(14-21)6-12-22(17-4-7-19(25)8-5-17)24(23)28-20-9-2-16(15-26)3-10-20/h2-15H,1H3
InChIKeyXDRVKWTVSKDODQ-UHFFFAOYSA-N
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 56.26
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

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CID 9799417
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C.I. Vat Green 1
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3',4'-Dimethoxy-alpha-naphthoflavone
CID 276138
4-Methoxy-1-naphthaldehyde
CID 85217
2-(2-Fluoro-phenyl)-benzo[h]chromen-4-one
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2-(3-Fluoro-phenyl)-benzo[h]chromen-4-one
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2-(2-Ethoxy-phenyl)-phenanthrene-9,10-dione
CID 10592371
2-(4-Methoxyphenyl)benzo[h]chromen-4-one
CID 97548
4H-Naphtho(2,3-b)pyran-4-one, 2-phenyl-
CID 623342
4H-Naphtho[1,2-b]pyran-4-one, 2-(4-hydroxyphenyl)-
CID 676300

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde?
The IUPAC name of 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde (CID 54464175) is 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde is COc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccc(F)cc3)ccc2c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde?
The InChIKey is XDRVKWTVSKDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO3/c1-27-21-11-13-23-18(14-21)6-12-22(17-4-7-19(25)8-5-17)24(23)28-20-9-2-16(15-26)3-10-20/h2-15H,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde?
4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde has a molecular weight of 372.40 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde is sourced from PubChem (CID 54464175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).