3-chloro-5-naphthalen-2-ylbenzaldehyde

C17H11ClO — CID 122475980

IUPAC3-chloro-5-naphthalen-2-ylbenzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11ClO/c18-17-8-12(11-19)7-16(10-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-11H
InChIKeyOLJCGEKTMRKKGZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.97
Rot. Bonds2

About 3-chloro-5-naphthalen-2-ylbenzaldehyde

3-chloro-5-naphthalen-2-ylbenzaldehyde (PubChem CID 122475980) has the molecular formula C17H11ClO and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-chloro-5-naphthalen-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-naphthalen-2-ylbenzaldehyde
PubChem CID122475980
Molecular FormulaC17H11ClO
Molecular Weight266.73 g/mol
Exact Mass266.05
IUPAC Name3-chloro-5-naphthalen-2-ylbenzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11ClO/c18-17-8-12(11-19)7-16(10-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-11H
InChIKeyOLJCGEKTMRKKGZ-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
CID 172653719
3-(3,5-dichlorophenyl)benzaldehyde
CID 2758152
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
CID 88533868
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
CID 171585736
3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
CID 122476342
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
benzo[f]azulene
CID 13065869
2-(3-chloro-5-phenylphenyl)phenanthrene
CID 156891659
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-naphthalen-2-ylbenzaldehyde?
The IUPAC name of 3-chloro-5-naphthalen-2-ylbenzaldehyde (CID 122475980) is 3-chloro-5-naphthalen-2-ylbenzaldehyde.
What is the SMILES notation for 3-chloro-5-naphthalen-2-ylbenzaldehyde?
The canonical SMILES for 3-chloro-5-naphthalen-2-ylbenzaldehyde is O=Cc1cc(Cl)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-chloro-5-naphthalen-2-ylbenzaldehyde?
The InChIKey is OLJCGEKTMRKKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO/c18-17-8-12(11-19)7-16(10-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-11H.
What are the key properties of 3-chloro-5-naphthalen-2-ylbenzaldehyde?
3-chloro-5-naphthalen-2-ylbenzaldehyde has a molecular weight of 266.73 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-naphthalen-2-ylbenzaldehyde is sourced from PubChem (CID 122475980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).