(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene

C13H16O — CID 25269348

IUPAC(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene
SMILESCOc1cc2c(cc1C)C=CC[C@@H]2C
InChIInChI=1S/C13H16O/c1-9-5-4-6-11-7-10(2)13(14-3)8-12(9)11/h4,6-9H,5H2,1-3H3/t9-/m0/s1
InChIKeyZMJQOLDZUQAVBA-VIFPVBQESA-N
MW188.27 g/mol
LogP3.52
Rot. Bonds1

About (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene

(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene (PubChem CID 25269348) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene
PubChem CID25269348
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene
SMILESCOc1cc2c(cc1C)C=CC[C@@H]2C
InChIInChI=1S/C13H16O/c1-9-5-4-6-11-7-10(2)13(14-3)8-12(9)11/h4,6-9H,5H2,1-3H3/t9-/m0/s1
InChIKeyZMJQOLDZUQAVBA-VIFPVBQESA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R,3R)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
CID 102423808
(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
CID 161209147
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2-(4-methoxy-2,5-dimethylphenyl)oxirane
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(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene (CID 25269348) is (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene is COc1cc2c(cc1C)C=CC[C@@H]2C.
What is the InChIKey of (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene?
The InChIKey is ZMJQOLDZUQAVBA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16O/c1-9-5-4-6-11-7-10(2)13(14-3)8-12(9)11/h4,6-9H,5H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene?
(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene has a molecular weight of 188.27 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 25269348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).