4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene

C17H25BrO2 — CID 103415407

IUPAC4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene
SMILESCOCCOCCCC1(CBr)CCCc2ccccc21
InChIInChI=1S/C17H25BrO2/c1-19-12-13-20-11-5-10-17(14-18)9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8H,4-5,7,9-14H2,1H3
InChIKeyQGFJKPSZNNFYRL-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.10
Rot. Bonds8

About 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene

4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene (PubChem CID 103415407) has the molecular formula C17H25BrO2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene
PubChem CID103415407
Molecular FormulaC17H25BrO2
Molecular Weight341.29 g/mol
Exact Mass340.10
IUPAC Name4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene
SMILESCOCCOCCCC1(CBr)CCCc2ccccc21
InChIInChI=1S/C17H25BrO2/c1-19-12-13-20-11-5-10-17(14-18)9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8H,4-5,7,9-14H2,1H3
InChIKeyQGFJKPSZNNFYRL-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
CID 103184988
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
CID 62718320
1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
CID 103415058
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66049211
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 103984610
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 62724312
1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
CID 65409010

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene (CID 103415407) is 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene is COCCOCCCC1(CBr)CCCc2ccccc21.
What is the InChIKey of 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is QGFJKPSZNNFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO2/c1-19-12-13-20-11-5-10-17(14-18)9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8H,4-5,7,9-14H2,1H3.
What are the key properties of 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene?
4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 341.29 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 103415407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).