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

C18H13BrO2 — CID 63535814

IUPAC4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
SMILESCc1cc(Oc2ccc3cc(Br)ccc3c2)ccc1C=O
InChIInChI=1S/C18H13BrO2/c1-12-8-17(7-4-15(12)11-20)21-18-6-3-13-9-16(19)5-2-14(13)10-18/h2-11H,1H3
InChIKeyUNGOHAZVMVSVSJ-UHFFFAOYSA-N
MW341.20 g/mol
LogP5.52
Rot. Bonds3

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

4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde (PubChem CID 63535814) has the molecular formula C18H13BrO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
PubChem CID63535814
Molecular FormulaC18H13BrO2
Molecular Weight341.20 g/mol
Exact Mass340.01
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
SMILESCc1cc(Oc2ccc3cc(Br)ccc3c2)ccc1C=O
InChIInChI=1S/C18H13BrO2/c1-12-8-17(7-4-15(12)11-20)21-18-6-3-13-9-16(19)5-2-14(13)10-18/h2-11H,1H3
InChIKeyUNGOHAZVMVSVSJ-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-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
CID 115980929
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
1,4-bis[(E)-2-(4-bromophenyl)ethenyl]-2-methylbenzene;1-bromo-4-ethylbenzene;4-methoxy-2-methylbenzaldehyde;bromide
CID 162213493
1,6-dibromonaphthalene-2-carbaldehyde
CID 88724899
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde (CID 63535814) is 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde is Cc1cc(Oc2ccc3cc(Br)ccc3c2)ccc1C=O.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde?
The InChIKey is UNGOHAZVMVSVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2/c1-12-8-17(7-4-15(12)11-20)21-18-6-3-13-9-16(19)5-2-14(13)10-18/h2-11H,1H3.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde?
4-(6-bromonaphthalen-2-yl)oxy-2-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 4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde is sourced from PubChem (CID 63535814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).