5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde

C18H13ClO2 — CID 66158473

IUPAC5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
SMILESCOc1ccc(-c2ccc(Cl)cc2C=O)c2ccccc12
InChIInChI=1S/C18H13ClO2/c1-21-18-9-8-16(15-4-2-3-5-17(15)18)14-7-6-13(19)10-12(14)11-20/h2-11H,1H3
InChIKeyWTWSENDNJWDALU-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.98
Rot. Bonds3

About 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde

5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde (PubChem CID 66158473) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
PubChem CID66158473
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
SMILESCOc1ccc(-c2ccc(Cl)cc2C=O)c2ccccc12
InChIInChI=1S/C18H13ClO2/c1-21-18-9-8-16(15-4-2-3-5-17(15)18)14-7-6-13(19)10-12(14)11-20/h2-11H,1H3
InChIKeyWTWSENDNJWDALU-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.98
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-(4-methoxyphenyl)benzaldehyde
CID 66159684
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633197
5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
CID 114270434
5-chloro-2-naphthalen-1-yloxybenzaldehyde
CID 114844762
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
CID 104665438
2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde
CID 18357650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde (CID 66158473) is 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde is COc1ccc(-c2ccc(Cl)cc2C=O)c2ccccc12.
What is the InChIKey of 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde?
The InChIKey is WTWSENDNJWDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c1-21-18-9-8-16(15-4-2-3-5-17(15)18)14-7-6-13(19)10-12(14)11-20/h2-11H,1H3.
What are the key properties of 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde?
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde has a molecular weight of 296.75 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde is sourced from PubChem (CID 66158473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).