3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal

C15H20O3 — CID 117374005

IUPAC3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
SMILESCOc1cc(CCC=O)c(OC)c2c1CCCC2
InChIInChI=1S/C15H20O3/c1-17-14-10-11(6-5-9-16)15(18-2)13-8-4-3-7-12(13)14/h9-10H,3-8H2,1-2H3
InChIKeyHLOWEAUTTXUZJC-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds5

About 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal

3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal (PubChem CID 117374005) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal.

Molecular Properties

Compound Name3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
PubChem CID117374005
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
SMILESCOc1cc(CCC=O)c(OC)c2c1CCCC2
InChIInChI=1S/C15H20O3/c1-17-14-10-11(6-5-9-16)15(18-2)13-8-4-3-7-12(13)14/h9-10H,3-8H2,1-2H3
InChIKeyHLOWEAUTTXUZJC-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.71
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

3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
CID 117311204
3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 117472164
3-(3-chloro-2,5-dimethoxy-4-methylphenyl)propanal
CID 117358681
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869
3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
CID 117286131
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
3-(3-bromo-2,5-dimethoxyphenyl)propanal
CID 117434967
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
3-(2-bromo-5-methoxy-4-methylphenyl)propanal
CID 117395582

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The IUPAC name of 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal (CID 117374005) is 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal.
What is the SMILES notation for 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The canonical SMILES for 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal is COc1cc(CCC=O)c(OC)c2c1CCCC2.
What is the InChIKey of 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The InChIKey is HLOWEAUTTXUZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-14-10-11(6-5-9-16)15(18-2)13-8-4-3-7-12(13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal has a molecular weight of 248.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal is sourced from PubChem (CID 117374005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).