2,6-dimethoxynaphthalene-1-carbaldehyde

C13H12O3 — CID 12583354

IUPAC2,6-dimethoxynaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(C=O)c(OC)ccc2c1
InChIInChI=1S/C13H12O3/c1-15-10-4-5-11-9(7-10)3-6-13(16-2)12(11)8-14/h3-8H,1-2H3
InChIKeySZKBFOWEOKWEDD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.67
Rot. Bonds3

About 2,6-dimethoxynaphthalene-1-carbaldehyde

2,6-dimethoxynaphthalene-1-carbaldehyde (PubChem CID 12583354) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,6-dimethoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethoxynaphthalene-1-carbaldehyde
PubChem CID12583354
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2,6-dimethoxynaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(C=O)c(OC)ccc2c1
InChIInChI=1S/C13H12O3/c1-15-10-4-5-11-9(7-10)3-6-13(16-2)12(11)8-14/h3-8H,1-2H3
InChIKeySZKBFOWEOKWEDD-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.67
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

6-methoxy-2-methylsulfonylnaphthalene-1-carbaldehyde
CID 141001617
2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
CID 145071221
(E)-3-(5-formyl-6-methoxynaphthalen-2-yl)prop-2-enoic acid
CID 155369741
N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
CID 130392131
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2,7-dimethoxy-6-methylsulfonylnaphthalene-1-carbaldehyde
CID 130391944
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
1,3,7-trimethoxynaphthalene
CID 102088907
[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate
CID 10576619
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
CID 167713797

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2,6-dimethoxynaphthalene-1-carbaldehyde (CID 12583354) is 2,6-dimethoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2,6-dimethoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2,6-dimethoxynaphthalene-1-carbaldehyde is COc1ccc2c(C=O)c(OC)ccc2c1.
What is the InChIKey of 2,6-dimethoxynaphthalene-1-carbaldehyde?
The InChIKey is SZKBFOWEOKWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-10-4-5-11-9(7-10)3-6-13(16-2)12(11)8-14/h3-8H,1-2H3.
What are the key properties of 2,6-dimethoxynaphthalene-1-carbaldehyde?
2,6-dimethoxynaphthalene-1-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 12583354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).