3-methyl-4-naphthalen-2-yloxybenzaldehyde

C18H14O2 — CID 63535815

IUPAC3-methyl-4-naphthalen-2-yloxybenzaldehyde
SMILESCc1cc(C=O)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C18H14O2/c1-13-10-14(12-19)6-9-18(13)20-17-8-7-15-4-2-3-5-16(15)11-17/h2-12H,1H3
InChIKeyAXJIEYCWJPDOCF-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.75
Rot. Bonds3

About 3-methyl-4-naphthalen-2-yloxybenzaldehyde

3-methyl-4-naphthalen-2-yloxybenzaldehyde (PubChem CID 63535815) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-4-naphthalen-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-naphthalen-2-yloxybenzaldehyde
PubChem CID63535815
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-methyl-4-naphthalen-2-yloxybenzaldehyde
SMILESCc1cc(C=O)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C18H14O2/c1-13-10-14(12-19)6-9-18(13)20-17-8-7-15-4-2-3-5-16(15)11-17/h2-12H,1H3
InChIKeyAXJIEYCWJPDOCF-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.75
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-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
CID 63647839
4-(3-chloro-4-nitrophenoxy)-3-methylbenzaldehyde
CID 62121798
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139008
4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191
ethanamine;naphthalene-2-carbaldehyde
CID 143882987
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-naphthalen-2-yloxybenzaldehyde?
The IUPAC name of 3-methyl-4-naphthalen-2-yloxybenzaldehyde (CID 63535815) is 3-methyl-4-naphthalen-2-yloxybenzaldehyde.
What is the SMILES notation for 3-methyl-4-naphthalen-2-yloxybenzaldehyde?
The canonical SMILES for 3-methyl-4-naphthalen-2-yloxybenzaldehyde is Cc1cc(C=O)ccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-4-naphthalen-2-yloxybenzaldehyde?
The InChIKey is AXJIEYCWJPDOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-13-10-14(12-19)6-9-18(13)20-17-8-7-15-4-2-3-5-16(15)11-17/h2-12H,1H3.
What are the key properties of 3-methyl-4-naphthalen-2-yloxybenzaldehyde?
3-methyl-4-naphthalen-2-yloxybenzaldehyde has a molecular weight of 262.31 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-naphthalen-2-yloxybenzaldehyde is sourced from PubChem (CID 63535815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).