2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde

C14H14O3 — CID 57172465

IUPAC2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
SMILESCOc1ccc2c(CC=O)ccc(OC)c2c1
InChIInChI=1S/C14H14O3/c1-16-11-4-5-12-10(7-8-15)3-6-14(17-2)13(12)9-11/h3-6,8-9H,7H2,1-2H3
InChIKeyWGXUTZSOZPEWKT-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.60
Rot. Bonds4

About 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde

2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde (PubChem CID 57172465) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
PubChem CID57172465
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
SMILESCOc1ccc2c(CC=O)ccc(OC)c2c1
InChIInChI=1S/C14H14O3/c1-16-11-4-5-12-10(7-8-15)3-6-14(17-2)13(12)9-11/h3-6,8-9H,7H2,1-2H3
InChIKeyWGXUTZSOZPEWKT-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
CID 157306599
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
2-(2,3-dihydroxy-4-methoxyphenyl)acetaldehyde
CID 87549008
1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
2-[2-(4,6-dimethoxynaphthalen-1-yl)ethyl]-2-methylbutanedioic acid
CID 71342626
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
CID 89131799
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde
CID 87349314

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde?
The IUPAC name of 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde (CID 57172465) is 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde?
The canonical SMILES for 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde is COc1ccc2c(CC=O)ccc(OC)c2c1.
What is the InChIKey of 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde?
The InChIKey is WGXUTZSOZPEWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-16-11-4-5-12-10(7-8-15)3-6-14(17-2)13(12)9-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde?
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde has a molecular weight of 230.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde is sourced from PubChem (CID 57172465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).