5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene

C13H18O — CID 177395557

IUPAC5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
SMILESCOc1cccc2c1CC(C)(C)CC2
InChIInChI=1S/C13H18O/c1-13(2)8-7-10-5-4-6-12(14-3)11(10)9-13/h4-6H,7-9H2,1-3H3
InChIKeyVUWOOSYKZRQVSI-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds1

About 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene

5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene (PubChem CID 177395557) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
PubChem CID177395557
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
SMILESCOc1cccc2c1CC(C)(C)CC2
InChIInChI=1S/C13H18O/c1-13(2)8-7-10-5-4-6-12(14-3)11(10)9-13/h4-6H,7-9H2,1-3H3
InChIKeyVUWOOSYKZRQVSI-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene (CID 177395557) is 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene is COc1cccc2c1CC(C)(C)CC2.
What is the InChIKey of 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
The InChIKey is VUWOOSYKZRQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2)8-7-10-5-4-6-12(14-3)11(10)9-13/h4-6H,7-9H2,1-3H3.
What are the key properties of 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene has a molecular weight of 190.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 177395557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).