(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C13H16O2 — CID 42611556

IUPAC(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCOc1cc2c(cc1C)[C@@H](C=O)CCC2
InChIInChI=1S/C13H16O2/c1-9-6-12-10(7-13(9)15-2)4-3-5-11(12)8-14/h6-8,11H,3-5H2,1-2H3/t11-/m1/s1
InChIKeyKPAKQNKLSTWLSL-LLVKDONJSA-N
MW204.27 g/mol
LogP2.62
Rot. Bonds2

About (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 42611556) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID42611556
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCOc1cc2c(cc1C)[C@@H](C=O)CCC2
InChIInChI=1S/C13H16O2/c1-9-6-12-10(7-13(9)15-2)4-3-5-11(12)8-14/h6-8,11H,3-5H2,1-2H3/t11-/m1/s1
InChIKeyKPAKQNKLSTWLSL-LLVKDONJSA-N
XLogP2.62
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 ≤ 52.62
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

6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 142643787
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 105455582
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 7055831
2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde
CID 142750657
(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde
CID 91344806
(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 162344374
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 42611556) is (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is COc1cc2c(cc1C)[C@@H](C=O)CCC2.
What is the InChIKey of (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is KPAKQNKLSTWLSL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-6-12-10(7-13(9)15-2)4-3-5-11(12)8-14/h6-8,11H,3-5H2,1-2H3/t11-/m1/s1.
What are the key properties of (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 42611556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).