1-bromo-2-nonoxynaphthalene

C19H25BrO — CID 63529773

IUPAC1-bromo-2-nonoxynaphthalene
SMILESCCCCCCCCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C19H25BrO/c1-2-3-4-5-6-7-10-15-21-18-14-13-16-11-8-9-12-17(16)19(18)20/h8-9,11-14H,2-7,10,15H2,1H3
InChIKeyZNFDFZMSCRLZQR-UHFFFAOYSA-N
MW349.31 g/mol
LogP6.73
Rot. Bonds9

About 1-bromo-2-nonoxynaphthalene

1-bromo-2-nonoxynaphthalene (PubChem CID 63529773) has the molecular formula C19H25BrO and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-bromo-2-nonoxynaphthalene.

Molecular Properties

Compound Name1-bromo-2-nonoxynaphthalene
PubChem CID63529773
Molecular FormulaC19H25BrO
Molecular Weight349.31 g/mol
Exact Mass348.11
IUPAC Name1-bromo-2-nonoxynaphthalene
SMILESCCCCCCCCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C19H25BrO/c1-2-3-4-5-6-7-10-15-21-18-14-13-16-11-8-9-12-17(16)19(18)20/h8-9,11-14H,2-7,10,15H2,1H3
InChIKeyZNFDFZMSCRLZQR-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1,4-didodecoxynaphthalene
CID 21304164
4-(1-bromonaphthalen-2-yl)oxy-N-butylbutan-1-amine;oxalic acid
CID 2923347
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
1,5-dibromo-2-hexoxy-6-methylnaphthalene
CID 70799714
1-decoxyphenanthrene
CID 140993229
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
1,2,3-tribromo-4-hexoxybenzene
CID 19820105
1-bromo-2-(3-methylbut-3-enoxy)naphthalene
CID 114472659
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-nonoxynaphthalene?
The IUPAC name of 1-bromo-2-nonoxynaphthalene (CID 63529773) is 1-bromo-2-nonoxynaphthalene.
What is the SMILES notation for 1-bromo-2-nonoxynaphthalene?
The canonical SMILES for 1-bromo-2-nonoxynaphthalene is CCCCCCCCCOc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-nonoxynaphthalene?
The InChIKey is ZNFDFZMSCRLZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrO/c1-2-3-4-5-6-7-10-15-21-18-14-13-16-11-8-9-12-17(16)19(18)20/h8-9,11-14H,2-7,10,15H2,1H3.
What are the key properties of 1-bromo-2-nonoxynaphthalene?
1-bromo-2-nonoxynaphthalene has a molecular weight of 349.31 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-nonoxynaphthalene is sourced from PubChem (CID 63529773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).