2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde

C24H20O2 — CID 101108881

IUPAC2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
SMILESCOc1cc2ccccc2c(C=O)c1-c1c(C)cc2ccccc2c1C
InChIInChI=1S/C24H20O2/c1-15-12-17-8-4-6-10-19(17)16(2)23(15)24-21(14-25)20-11-7-5-9-18(20)13-22(24)26-3/h4-14H,1-3H3
InChIKeyVARXQKCKOZDHRO-UHFFFAOYSA-N
MW340.42 g/mol
LogP6.10
Rot. Bonds3

About 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde

2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde (PubChem CID 101108881) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
PubChem CID101108881
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
SMILESCOc1cc2ccccc2c(C=O)c1-c1c(C)cc2ccccc2c1C
InChIInChI=1S/C24H20O2/c1-15-12-17-8-4-6-10-19(17)16(2)23(15)24-21(14-25)20-11-7-5-9-18(20)13-22(24)26-3/h4-14H,1-3H3
InChIKeyVARXQKCKOZDHRO-UHFFFAOYSA-N
XLogP6.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.10
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

3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682
3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
CID 159220371
4-methyl-3-phenylnaphthalene-2-carbaldehyde
CID 102040919
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589
3-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 141170749
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene
CID 102027200
(4-formyl-3-hydroxynaphthalen-2-yl) hydrogen carbonate
CID 88726898
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
(E)-3-(2,3-dimethoxynaphthalen-1-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 142740676

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde (CID 101108881) is 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde is COc1cc2ccccc2c(C=O)c1-c1c(C)cc2ccccc2c1C.
What is the InChIKey of 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde?
The InChIKey is VARXQKCKOZDHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c1-15-12-17-8-4-6-10-19(17)16(2)23(15)24-21(14-25)20-11-7-5-9-18(20)13-22(24)26-3/h4-14H,1-3H3.
What are the key properties of 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde?
2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde has a molecular weight of 340.42 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 101108881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).