1-(bromomethyl)-2-hexoxynaphthalene

C17H21BrO — CID 43505804

IUPAC1-(bromomethyl)-2-hexoxynaphthalene
SMILESCCCCCCOc1ccc2ccccc2c1CBr
InChIInChI=1S/C17H21BrO/c1-2-3-4-7-12-19-17-11-10-14-8-5-6-9-15(14)16(17)13-18/h5-6,8-11H,2-4,7,12-13H2,1H3
InChIKeyGACVLONMQRHEAV-UHFFFAOYSA-N
MW321.26 g/mol
LogP5.69
Rot. Bonds7

About 1-(bromomethyl)-2-hexoxynaphthalene

1-(bromomethyl)-2-hexoxynaphthalene (PubChem CID 43505804) has the molecular formula C17H21BrO and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-(bromomethyl)-2-hexoxynaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-2-hexoxynaphthalene
PubChem CID43505804
Molecular FormulaC17H21BrO
Molecular Weight321.26 g/mol
Exact Mass320.08
IUPAC Name1-(bromomethyl)-2-hexoxynaphthalene
SMILESCCCCCCOc1ccc2ccccc2c1CBr
InChIInChI=1S/C17H21BrO/c1-2-3-4-7-12-19-17-11-10-14-8-5-6-9-15(14)16(17)13-18/h5-6,8-11H,2-4,7,12-13H2,1H3
InChIKeyGACVLONMQRHEAV-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1-bromo-2-nonoxynaphthalene
CID 63529773
1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
CID 80696064
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
1,4-didodecoxynaphthalene
CID 21304164
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
1-(bromomethyl)-4-dodecoxynaphthalene
CID 57081805
1-(bromomethyl)-2-(2-methylsulfonylethoxy)naphthalene
CID 54915025
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-hexoxynaphthalene?
The IUPAC name of 1-(bromomethyl)-2-hexoxynaphthalene (CID 43505804) is 1-(bromomethyl)-2-hexoxynaphthalene.
What is the SMILES notation for 1-(bromomethyl)-2-hexoxynaphthalene?
The canonical SMILES for 1-(bromomethyl)-2-hexoxynaphthalene is CCCCCCOc1ccc2ccccc2c1CBr.
What is the InChIKey of 1-(bromomethyl)-2-hexoxynaphthalene?
The InChIKey is GACVLONMQRHEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrO/c1-2-3-4-7-12-19-17-11-10-14-8-5-6-9-15(14)16(17)13-18/h5-6,8-11H,2-4,7,12-13H2,1H3.
What are the key properties of 1-(bromomethyl)-2-hexoxynaphthalene?
1-(bromomethyl)-2-hexoxynaphthalene has a molecular weight of 321.26 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-hexoxynaphthalene is sourced from PubChem (CID 43505804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).