4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

C13H16O2 — CID 135008237

IUPAC4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
SMILESCOc1ccc(C=O)c2c1CCC(C)C2
InChIInChI=1S/C13H16O2/c1-9-3-5-11-12(7-9)10(8-14)4-6-13(11)15-2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyQJGBCXIERYSILX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.63
Rot. Bonds2

About 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 135008237) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
PubChem CID135008237
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
SMILESCOc1ccc(C=O)c2c1CCC(C)C2
InChIInChI=1S/C13H16O2/c1-9-3-5-11-12(7-9)10(8-14)4-6-13(11)15-2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyQJGBCXIERYSILX-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.63
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

(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
CID 135060366
4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde
CID 13164970
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341
4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde
CID 163784821
N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
CID 158989698
1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde
CID 88980430
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
butane;(2R)-1-fluorobutan-2-ol;(2S)-5-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143917260
5,8-dimethoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14023938
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde (CID 135008237) is 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde is COc1ccc(C=O)c2c1CCC(C)C2.
What is the InChIKey of 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is QJGBCXIERYSILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-3-5-11-12(7-9)10(8-14)4-6-13(11)15-2/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 135008237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).