2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane

C22H24O3 — CID 170588240

IUPAC2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane
SMILESCC.COc1ccc(C=O)c(OC)c1-c1cccc2c(C)cccc12
InChIInChI=1S/C20H18O3.C2H6/c1-13-6-4-8-16-15(13)7-5-9-17(16)19-18(22-2)11-10-14(12-21)20(19)23-3;1-2/h4-12H,1-3H3;1-2H3
InChIKeyLDARYDQCCHSDJT-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.67
Rot. Bonds4

About 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane

2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane (PubChem CID 170588240) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane.

Molecular Properties

Compound Name2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane
PubChem CID170588240
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane
SMILESCC.COc1ccc(C=O)c(OC)c1-c1cccc2c(C)cccc12
InChIInChI=1S/C20H18O3.C2H6/c1-13-6-4-8-16-15(13)7-5-9-17(16)19-18(22-2)11-10-14(12-21)20(19)23-3;1-2/h4-12H,1-3H3;1-2H3
InChIKeyLDARYDQCCHSDJT-UHFFFAOYSA-N
XLogP5.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.67
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

methyl (2S)-2-[(2-fluoro-6-methylbenzoyl)amino]-3-[5-(3-formyl-2,6-dimethoxyphenyl)naphthalen-1-yl]propanoate
CID 177291795
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-methoxy-3-methyl-5-(2-methylphenyl)benzaldehyde
CID 171919508
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol
CID 174493714
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane?
The IUPAC name of 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane (CID 170588240) is 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane.
What is the SMILES notation for 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane?
The canonical SMILES for 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane is CC.COc1ccc(C=O)c(OC)c1-c1cccc2c(C)cccc12.
What is the InChIKey of 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane?
The InChIKey is LDARYDQCCHSDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3.C2H6/c1-13-6-4-8-16-15(13)7-5-9-17(16)19-18(22-2)11-10-14(12-21)20(19)23-3;1-2/h4-12H,1-3H3;1-2H3.
What are the key properties of 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane?
2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane has a molecular weight of 336.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane is sourced from PubChem (CID 170588240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).