5-chloro-2-naphthalen-1-yloxybenzaldehyde

C17H11ClO2 — CID 114844762

IUPAC5-chloro-2-naphthalen-1-yloxybenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H11ClO2/c18-14-8-9-16(13(10-14)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-11H
InChIKeyJKBSIDJGUJOBMO-UHFFFAOYSA-N
MW282.73 g/mol
LogP5.10
Rot. Bonds3

About 5-chloro-2-naphthalen-1-yloxybenzaldehyde

5-chloro-2-naphthalen-1-yloxybenzaldehyde (PubChem CID 114844762) has the molecular formula C17H11ClO2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-2-naphthalen-1-yloxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-naphthalen-1-yloxybenzaldehyde
PubChem CID114844762
Molecular FormulaC17H11ClO2
Molecular Weight282.73 g/mol
Exact Mass282.04
IUPAC Name5-chloro-2-naphthalen-1-yloxybenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H11ClO2/c18-14-8-9-16(13(10-14)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-11H
InChIKeyJKBSIDJGUJOBMO-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.73
LogP ≤ 55.10
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

5-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045106
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
3-chloronaphthalene-1-carbaldehyde
CID 18673614
(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
CID 23010873
5-chloro-2-(4-sulfanylphenoxy)benzaldehyde
CID 89176550
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-naphthalen-1-yloxybenzaldehyde?
The IUPAC name of 5-chloro-2-naphthalen-1-yloxybenzaldehyde (CID 114844762) is 5-chloro-2-naphthalen-1-yloxybenzaldehyde.
What is the SMILES notation for 5-chloro-2-naphthalen-1-yloxybenzaldehyde?
The canonical SMILES for 5-chloro-2-naphthalen-1-yloxybenzaldehyde is O=Cc1cc(Cl)ccc1Oc1cccc2ccccc12.
What is the InChIKey of 5-chloro-2-naphthalen-1-yloxybenzaldehyde?
The InChIKey is JKBSIDJGUJOBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO2/c18-14-8-9-16(13(10-14)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-11H.
What are the key properties of 5-chloro-2-naphthalen-1-yloxybenzaldehyde?
5-chloro-2-naphthalen-1-yloxybenzaldehyde has a molecular weight of 282.73 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-naphthalen-1-yloxybenzaldehyde is sourced from PubChem (CID 114844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).