acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene

C14H20O2 — CID 175495891

IUPACacetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC=O.COc1ccc2c(c1)C(C)CCC2
InChIInChI=1S/C12H16O.C2H4O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10;1-2-3/h6-9H,3-5H2,1-2H3;2H,1H3
InChIKeyVIDNBHTXHRGRAD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.34
Rot. Bonds1

About acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene

acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 175495891) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameacetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID175495891
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameacetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC=O.COc1ccc2c(c1)C(C)CCC2
InChIInChI=1S/C12H16O.C2H4O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10;1-2-3/h6-9H,3-5H2,1-2H3;2H,1H3
InChIKeyVIDNBHTXHRGRAD-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.34
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

(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
(8R)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 57293578
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 86306624
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 138972518
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene (CID 175495891) is acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene is CC=O.COc1ccc2c(c1)C(C)CCC2.
What is the InChIKey of acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VIDNBHTXHRGRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H4O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10;1-2-3/h6-9H,3-5H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 220.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 175495891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).