3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde

C18H12BrClO2 — CID 20985669

IUPAC3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Br)c1OCc1cccc2ccccc12
InChIInChI=1S/C18H12BrClO2/c19-17-9-15(20)8-14(10-21)18(17)22-11-13-6-3-5-12-4-1-2-7-16(12)13/h1-10H,11H2
InChIKeyKOZLDEMDYDZOFS-UHFFFAOYSA-N
MW375.65 g/mol
LogP5.65
Rot. Bonds4

About 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde

3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde (PubChem CID 20985669) has the molecular formula C18H12BrClO2 and a molecular weight of 375.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
PubChem CID20985669
Molecular FormulaC18H12BrClO2
Molecular Weight375.65 g/mol
Exact Mass373.97
IUPAC Name3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Br)c1OCc1cccc2ccccc12
InChIInChI=1S/C18H12BrClO2/c19-17-9-15(20)8-14(10-21)18(17)22-11-13-6-3-5-12-4-1-2-7-16(12)13/h1-10H,11H2
InChIKeyKOZLDEMDYDZOFS-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 55.65
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

(4Z)-4-[[3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126404206
3-bromo-5-chloro-2-ethoxybenzaldehyde
CID 22134786
2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzaldehyde
CID 21211267
N-[(Z)-[3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036718
3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91686017
3-chloronaphthalene-1-carbaldehyde
CID 18673614
2-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]indene-1,3-dione
CID 126396053
3-[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20988139
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 98050135
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzaldehyde
CID 20990408

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde?
The IUPAC name of 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde (CID 20985669) is 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde is O=Cc1cc(Cl)cc(Br)c1OCc1cccc2ccccc12.
What is the InChIKey of 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde?
The InChIKey is KOZLDEMDYDZOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClO2/c19-17-9-15(20)8-14(10-21)18(17)22-11-13-6-3-5-12-4-1-2-7-16(12)13/h1-10H,11H2.
What are the key properties of 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde?
3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde has a molecular weight of 375.65 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde is sourced from PubChem (CID 20985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).