5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C14H19BrO2 — CID 178161090

IUPAC5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCOCOc1cc(Br)c2c(c1)CCCC2(C)C
InChIInChI=1S/C14H19BrO2/c1-14(2)6-4-5-10-7-11(17-9-16-3)8-12(15)13(10)14/h7-8H,4-6,9H2,1-3H3
InChIKeyOVLRARHUEJFFTH-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene

5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 178161090) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID178161090
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCOCOc1cc(Br)c2c(c1)CCCC2(C)C
InChIInChI=1S/C14H19BrO2/c1-14(2)6-4-5-10-7-11(17-9-16-3)8-12(15)13(10)14/h7-8H,4-6,9H2,1-3H3
InChIKeyOVLRARHUEJFFTH-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 178161090) is 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene is COCOc1cc(Br)c2c(c1)CCCC2(C)C.
What is the InChIKey of 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is OVLRARHUEJFFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-14(2)6-4-5-10-7-11(17-9-16-3)8-12(15)13(10)14/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 299.21 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(methoxymethoxy)-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 178161090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).