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

C12H16O — CID 59377466

IUPAC(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)[C@@H](C)CCC2
InChIInChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyKSWPMXHTZCMXBJ-VIFPVBQESA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds1

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

(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 59377466) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID59377466
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)[C@@H](C)CCC2
InChIInChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyKSWPMXHTZCMXBJ-VIFPVBQESA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene (CID 59377466) is (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)[C@@H](C)CCC2.
What is the InChIKey of (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KSWPMXHTZCMXBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 176.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 59377466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).