2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde

C20H17BrO3 — CID 21211267

IUPAC2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
SMILESCCOc1cc(C=O)c(Br)cc1OCc1cccc2ccccc12
InChIInChI=1S/C20H17BrO3/c1-2-23-19-10-16(12-22)18(21)11-20(19)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,2,13H2,1H3
InChIKeyCYEFLMHOMKHUOR-UHFFFAOYSA-N
MW385.26 g/mol
LogP5.39
Rot. Bonds6

About 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde

2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde (PubChem CID 21211267) has the molecular formula C20H17BrO3 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
PubChem CID21211267
Molecular FormulaC20H17BrO3
Molecular Weight385.26 g/mol
Exact Mass384.04
IUPAC Name2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
SMILESCCOc1cc(C=O)c(Br)cc1OCc1cccc2ccccc12
InChIInChI=1S/C20H17BrO3/c1-2-23-19-10-16(12-22)18(21)11-20(19)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,2,13H2,1H3
InChIKeyCYEFLMHOMKHUOR-UHFFFAOYSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 55.39
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

[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol
CID 1315850
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130367
2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxybenzaldehyde
CID 21211263
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 883669
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126383205
3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
CID 20985669
(Z)-3-[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
CID 124534339
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 126379107
2-bromo-4-butoxy-5-ethoxybenzaldehyde
CID 19578043
[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 126085472
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126140622
(NE)-N-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6898110

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde?
The IUPAC name of 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde (CID 21211267) is 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde is CCOc1cc(C=O)c(Br)cc1OCc1cccc2ccccc12.
What is the InChIKey of 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde?
The InChIKey is CYEFLMHOMKHUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO3/c1-2-23-19-10-16(12-22)18(21)11-20(19)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,2,13H2,1H3.
What are the key properties of 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde?
2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde has a molecular weight of 385.26 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde is sourced from PubChem (CID 21211267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).