3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde

C18H13BrO2 — CID 105405451

IUPAC3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H13BrO2/c1-12-2-3-13(11-20)8-18(12)21-17-7-5-14-9-16(19)6-4-15(14)10-17/h2-11H,1H3
InChIKeyBAEBBBJVVHPPIQ-UHFFFAOYSA-N
MW341.20 g/mol
LogP5.52
Rot. Bonds3

About 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde

3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde (PubChem CID 105405451) has the molecular formula C18H13BrO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
PubChem CID105405451
Molecular FormulaC18H13BrO2
Molecular Weight341.20 g/mol
Exact Mass340.01
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H13BrO2/c1-12-2-3-13(11-20)8-18(12)21-17-7-5-14-9-16(19)6-4-15(14)10-17/h2-11H,1H3
InChIKeyBAEBBBJVVHPPIQ-UHFFFAOYSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.20
LogP ≤ 55.52
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

4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
CID 63535814
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
4-methyl-3-(4-propoxyphenoxy)benzaldehyde
CID 105405469
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
3-butoxy-4-methylbenzaldehyde
CID 91636264
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde (CID 105405451) is 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde is Cc1ccc(C=O)cc1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde?
The InChIKey is BAEBBBJVVHPPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2/c1-12-2-3-13(11-20)8-18(12)21-17-7-5-14-9-16(19)6-4-15(14)10-17/h2-11H,1H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde?
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde has a molecular weight of 341.20 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde is sourced from PubChem (CID 105405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).